SCHEMBL17652022

SCHEMBL17652022

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHUK O15111 9/20 0.43
LRRK2 Q5S007 7/20 0.43
MCL1 Q07820 2/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TYMS P04818 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
IKBKB O14920 2/20 0.35

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
SCHEMBL17652009 0.80 KMT2A (0.35) KDM4EALDH1A1TYMS
SCHEMBL25815335 0.78 KCNA5 (0.36) KDM4E
SCHEMBL25388131 0.76 HPGD (0.35) KDM4EALDH1A1HPGDTYMS
SCHEMBL19253836 0.74 TYMS (0.34) KDM4EALDH1A1TYMS
SCHEMBL25390339 0.74 MAPT (0.33) KDM4EALDH1A1HPGD
SCHEMBL20012256 0.72 ALDH1A1 (0.47) CHUKLRRK2ALDH1A1HPGDTYMS
SCHEMBL17652035 0.71 LMNA (0.35) KDM4EALDH1A1TYMS
SCHEMBL17652032 0.71 TYMS (0.34) KDM4EALDH1A1TYMS
SCHEMBL25389586 0.71 MEN1 (0.38) TYMS
SCHEMBL19253834 0.71 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 34 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-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
US-11684611-B2 Compounds for treating diseases associated with a mitochondrial dysfunction AMABIOTICS (FR) 2023-06-27 US disclosed
EP-4188553-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
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
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-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-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
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
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 (6 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 CHUK 216/4885LRRK2 3305/4885MCL1 1637/4885
US-20230295165-A1 COMPOUNDS NR3C1, NR3C2, CBR3 CHUK 1812/4885LRRK2 2441/4885MCL1 2846/4885
US-11518765-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases TYMS, C5, HRH3 CHUK 234/4885LRRK2 2876/4885MCL1 1331/4885
US-20230286987-A1 COMPOUNDS HAX1, NHERF1, CXCR1 CHUK 1560/4885LRRK2 3023/4885MCL1 878/4885
US-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 CHUK 1809/4885LRRK2 4271/4885MCL1 4451/4885
US-11684611-B2 Compounds for treating diseases associated with a mitochondrial dysfunction NDUFAB1, FH, TFAM CHUK 1819/4885LRRK2 1388/4885MCL1 3800/4885

“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.