SCHEMBL4525792

SCHEMBL4525792

COCCNc1nc(NC(C)=O)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
SYK P43405 1/20 0.40
CDK5 Q00535 5/20 0.39
CDK5R1 Q15078 5/20 0.39
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
KCNH3 Q9ULD8 1/20 0.39

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
SCHEMBL4537447 0.86 ADORA3 (0.45) ACHETLR8TLR7NPC1CASP3
SCHEMBL4565682 0.86 TLR8 (0.45) ACHETLR8TLR7ADORA3ADORA2A
SCHEMBL8252450 0.85 ACHE (0.39) ACHETLR8TLR7NPC1CASP3
SCHEMBL5109456 0.84 IP6K1 (0.45) TLR8TLR7SMN1; SMN2ADORA2AKCNH3
SCHEMBL4566109 0.83 ADORA3 (0.40) ACHENPC1CASP3RAB9ASMN1; SMN2
SCHEMBL4534770 0.83 TLR8 (0.39) ACHETLR8TLR7NPC1CASP3
SCHEMBL4533809 0.82 ACHE (0.59) ACHERAB9ASMN1; SMN2ADORA3ALDH1A1
SCHEMBL4532171 0.81 TLR7 (0.56) TLR8TLR7KCNH3ALDH1A1KDM4E
SCHEMBL5111443 0.80 KCNH3 (0.45) SYKTLR8TLR7KCNH3ALDH1A1
SCHEMBL8252482 0.80 L3MBTL1 (0.38) ACHESYKSMN1; SMN2ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO ACHE 4292/4885SYK 3550/4885CDK5 625/4885

“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.