SCHEMBL17652009

SCHEMBL17652009

O=Cc1c[nH]c2nc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
TYMS P04818 5/20 0.33
CYP2A6 P11509 2/20 0.32
IMPDH2 P12268 1/20 0.32
DPYD Q12882 1/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25388131 0.85 HPGD (0.35) KMT2ATYMSMEN1KDM4EALDH1A1
SCHEMBL25390339 0.83 MAPT (0.33) KMT2AMEN1KDM4EALDH1A1RAB9A
SCHEMBL19253836 0.81 TYMS (0.34) TYMSKDM4EALDH1A1RAB9A
SCHEMBL25815335 0.80 KCNA5 (0.36) KMT2AMEN1KDM4E
SCHEMBL17652022 0.80 CHUK (0.43) TYMSKDM4EALDH1A1
SCHEMBL25389586 0.79 MEN1 (0.38) KMT2ATYMSMEN1RAB9A
SCHEMBL25387199 0.78 TAAR1 (0.36) TYMSKDM4EALDH1A1
SCHEMBL17652035 0.76 LMNA (0.35) KMT2ATYMSMEN1KDM4EALDH1A1
SCHEMBL26232249 0.75 KMT2A (0.35) KMT2ATYMSCYP2A6
SCHEMBL19253834 0.75 MPO (0.39) TYMS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188553-B1 COMPOUNDS PROVOST FELLOWS FOUND SCHOLARS & OTHER MEMBERS BOARD COLLEGE HOLY & UND (IE) 2024-05-08 EP disclosed
US-11807623-B2 Nucleic acid-binding photoprobes and uses thereof ARRAKIS THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230312520-A1 NUCLEIC ACID-BINDING PHOTOPROBES AND USES THEREOF ARRAKIS THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230295165-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2023-09-21 US disclosed
CN-116783197-A Compounds of formula (I) 都柏林圣三一学院教务长、研究员、基金会学者及董事会其他成员 2023-09-19 CN disclosed
US-20230286987-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2023-09-14 US disclosed
EP-4188932-A1 COMPOUNDS The Provost, Fellows, Foundation Scholars and the other members of Board, of the College of the Holy and Undivided Trinity of Queen Elizabeth, (IE) 2023-06-07 EP disclosed
US-11518765-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases THE PROVOST, THE FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2022-12-06 US disclosed
WO-2022023438-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2022-02-03 WO disclosed
US-11229652-B2 Treatments for autoimmune disease THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2022-01-25 US disclosed
US-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2017-09-14 US disclosed
US-20170240553-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST FELLOWS FOUNDATION SCHOLARS AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2017-08-24 US disclosed
US-20170240553-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST FELLOWS FOUNDATION SCHOLARS AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2017-08-24 US disclosed
US-20170240553-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST FELLOWS FOUNDATION SCHOLARS AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH (IE) 2017-08-24 US disclosed
EP-3200798-A1 TREATMENTS FOR AUTOIMMUNE DISEASE The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2017-08-09 EP disclosed
EP-3201198-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2017-08-09 EP disclosed
WO-2016050806-A1 TREATMENTS FOR AUTOIMMUNE DISEASE THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-04-07 WO disclosed
WO-2016050804-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-04-07 WO disclosed
WO-2016050804-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-04-07 WO disclosed
WO-2016050806-A1 TREATMENTS FOR AUTOIMMUNE DISEASE THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-04-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170240553-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES TYMS, DPYD, C5 KMT2A 2408/4885TYMS 1/4885CYP2A6 96/4885
US-20230295165-A1 COMPOUNDS NR3C1, NR3C2, CBR3 KMT2A 1755/4885TYMS 4575/4885CYP2A6 109/4885
US-11518765-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases TYMS, C5, HRH3 KMT2A 1914/4885TYMS 1/4885CYP2A6 230/4885
US-20230312520-A1 NUCLEIC ACID-BINDING PHOTOPROBES AND USES THEREOF NSUN3, NSUN2, TARBP1 KMT2A 2159/4885TYMS 719/4885CYP2A6 1546/4885
US-20230286987-A1 COMPOUNDS HAX1, NHERF1, CXCR1 KMT2A 512/4885TYMS 4374/4885CYP2A6 35/4885
US-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 KMT2A 526/4885TYMS 20/4885CYP2A6 1004/4885
US-11807623-B2 Nucleic acid-binding photoprobes and uses thereof NSUN3, NSUN2, TARBP1 KMT2A 2159/4885TYMS 719/4885CYP2A6 1546/4885
US-11229652-B2 Treatments for autoimmune disease QARS1, QTRT1, QTRT2 KMT2A 914/4885TYMS 6/4885CYP2A6 1363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.