SCHEMBL5794083

SCHEMBL5794083

S=c1ncc2cccnc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
AXL P30530 1/20 0.44
NUDT1 P36639 1/20 0.44
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 12/20 0.41
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL29486398 0.76 DAO (0.56) DAOAXLNUDT1RIPK1CCNB2
SCHEMBL29486393 0.76 DAO (0.56) DAOAXLNUDT1RIPK1CCNB2
SCHEMBL747250 0.76 DAO (0.56) DAOAXLNUDT1RIPK1CCNB2
SCHEMBL29808942 0.73 AXL (0.55) DAOAXLNUDT1HTTHSD17B10
SCHEMBL588974 0.73 AXL (0.55) DAOAXLNUDT1HTTHSD17B10
SCHEMBL314062 0.71 ALDH1A1 (0.48) HSD17B10KDM4ETP53HSP90AA1CYP3A4
SCHEMBL31199151 0.71 ALDH1A1 (0.48) HSD17B10KDM4ETP53HSP90AA1CYP3A4
SCHEMBL7679 0.70
SCHEMBL29365139 0.70
Pyrazine SCHEMBL28408989 0.69 ALDH1A1 (0.42) HSD17B10KDM4EHSP90AA1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100054-B1 Pyrido[2,3-d]pyrimidines as anticancer agents KING SAUD UNIVERSITY (SA) 2018-10-16 US disclosed
EP-0823908-B1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2006-11-02 EP disclosed
US-5733914-A Pyrido 2, 3-d!pyrimidines for inhibiting protein tyrosine kinase mediated cellular proliferation WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0823908-A1 PYRIDO 2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1998-02-18 EP disclosed
US-5620981-A ANTICARCINOGENIC AGENTS, ATHEROSCLEROSIS, RESTENOSIS, PSORIASIS WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996034867-A1 PYRIDO[2,3-d]PYRIMIDINES FOR INHIBITING PROTEIN TYROSINE KINASE MEDIATED CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1996-11-07 WO disclosed
US-3912736-A Pyrido(2,3-d) pyrimidine-thiones TROPONWERKE GMBH & CO., KG. (DE) 1975-10-14 US disclosed
US-3912736-A Pyrido(2,3-d) pyrimidine-thiones TROPONWERKE GMBH & CO., KG. (DE) 1975-10-14 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 (1 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-10100054-B1 Pyrido[2,3-d]pyrimidines as anticancer agents H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3, HCCS DAO 842/4885AXL 3041/4885NUDT1 41/4885

“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.