SCHEMBL4101625

SCHEMBL4101625

COc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NOX1 Q9Y5S8 1/20 0.49
IDO1 P14902 1/20 0.47
CHEK1 O14757 2/20 0.46
FYN P06241 2/20 0.46
FGFR1 P11362 1/20 0.46
CDK4 P11802 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CCND3 P30281 1/20 0.46
KDR P35968 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4097044 0.88 ADORA1 (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2ADORA1
SCHEMBL4097602 0.86 ADORA2A (0.59) FYNSMN1; SMN2ADORA1ADORA2A
SCHEMBL3921272 0.84 MAP4K4 (0.52) POLBFYNGAARECQLGFER
SCHEMBL4113768 0.84 ADORA2A (0.46) NOX1ADORA1ADORA2ATDO2SMPD3
SCHEMBL4097136 0.84 DHODH (0.48) POLBCHEK1GAAKDM4EALDH1A1
SCHEMBL4105739 0.83 GAA (0.45) POLBNOX1IDO1CHEK1FYN
SCHEMBL4115794 0.82 ADORA1 (0.43) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL4095769 0.82 ADORA1 (0.48) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL4101150 0.81 ADORA2A (0.63) MAPTADORA1ADORA2AMAP4K4
SCHEMBL4108639 0.81 ADORA2A (0.63) KDM4EALDH1A1RAB9ASMN1; SMN2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD POLB 189/4885NOX1 957/4885IDO1 89/4885

“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.