SCHEMBL17652032

SCHEMBL17652032

CCC(C)NCc1c[nH]c2nc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.34
KDM4E B2RXH2 3/20 0.32
ELANE P08246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL17652080 0.87 KDM4E (0.37) TYMSKDM4EALDH1A1
SCHEMBL17652035 0.82 LMNA (0.35) TYMSKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL19253836 0.81 TYMS (0.34) TYMSKDM4EALDH1A1
SCHEMBL19253834 0.77 MPO (0.39) TYMS
SCHEMBL25815335 0.74 KCNA5 (0.36) KDM4EKMT2ASMN1; SMN2TSHRMEN1
SCHEMBL17652009 0.73 KMT2A (0.35) TYMSKDM4EALDH1A1KMT2AMEN1
SCHEMBL17652022 0.71 CHUK (0.43) TYMSKDM4EALDH1A1
SCHEMBL25388131 0.70 HPGD (0.35) TYMSKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL25390339 0.69 MAPT (0.33) KDM4EALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL25389586 0.67 MEN1 (0.38) TYMSKMT2AMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20210024529-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) 2021-01-28 US disclosed
US-10793572-B2 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) 2020-10-06 US disclosed
EP-3201198-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES THE PROVOST FELLOWS FOUND SCHOLARS AND THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY & UNDIV (IE) 2020-07-29 EP disclosed
EP-3200798-B1 TREATMENTS FOR AUTOIMMUNE DISEASE THE PROVOST FELLOWS FOUND SCHOLARS & THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF THE HOLY & UNDIV T (IE) 2019-05-22 EP disclosed
US-20180256583-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) 2018-09-13 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
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

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

For each of this compound's patents that has machine-readable text (7 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 TYMS 1/4885KDM4E 550/4885ELANE 3335/4885
US-11518765-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases TYMS, C5, HRH3 TYMS 1/4885KDM4E 541/4885ELANE 3856/4885
US-20180256583-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 TYMS 20/4885KDM4E 987/4885ELANE 1760/4885
US-10793572-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases TYMS, DPYD, C5 TYMS 1/4885KDM4E 550/4885ELANE 3335/4885
US-20210024529-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES TYMS, C5, HRH3 TYMS 1/4885KDM4E 541/4885ELANE 3856/4885
US-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 TYMS 20/4885KDM4E 987/4885ELANE 1760/4885
US-11229652-B2 Treatments for autoimmune disease QARS1, QTRT1, QTRT2 TYMS 6/4885KDM4E 608/4885ELANE 1671/4885

“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.