SCHEMBL19253836

SCHEMBL19253836

O=CNCc1c[nH]c2nc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 7/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
PNP P00491 1/20 0.31

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
SCHEMBL17652035 0.83 LMNA (0.35) TYMSKDM4EALDH1A1PNP
SCHEMBL19253834 0.82 MPO (0.39) TYMS
SCHEMBL17652009 0.81 KMT2A (0.35) TYMSKDM4EALDH1A1RAB9A
SCHEMBL17652032 0.81 TYMS (0.34) TYMSKDM4EALDH1A1
SCHEMBL17652080 0.79 KDM4E (0.37) TYMSKDM4EALDH1A1
SCHEMBL25388131 0.75 HPGD (0.35) TYMSKDM4EALDH1A1RAB9A
SCHEMBL17652022 0.74 CHUK (0.43) TYMSKDM4EALDH1A1
SCHEMBL25815335 0.74 KCNA5 (0.36) KDM4E
SCHEMBL25390339 0.72 MAPT (0.33) KDM4EALDH1A1RAB9A
SCHEMBL25389586 0.72 MEN1 (0.38) TYMSRAB9A

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 9 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

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 1/4885ADH1B 1760/4885ADH1C 1575/4885
US-11518765-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases TYMS, C5, HRH3 TYMS 1/4885ADH1B 1996/4885ADH1C 1682/4885
US-20180256583-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 TYMS 20/4885ADH1B 321/4885ADH1C 2641/4885
US-10793572-B2 Substituted pyrimidine derivatives useful in the treatment of autoimmune diseases TYMS, DPYD, C5 TYMS 1/4885ADH1B 1760/4885ADH1C 1575/4885
US-20210024529-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF AUTOIMMUNE DISEASES TYMS, C5, HRH3 TYMS 1/4885ADH1B 1996/4885ADH1C 1682/4885
US-20170258797-A1 TREATMENTS FOR AUTOIMMUNE DISEASE QTRT1, QTRT2, HPRT1 TYMS 20/4885ADH1B 321/4885ADH1C 2641/4885
US-11229652-B2 Treatments for autoimmune disease QARS1, QTRT1, QTRT2 TYMS 6/4885ADH1B 462/4885ADH1C 3847/4885

“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.