SCHEMBL4122428

SCHEMBL4122428

CCOc1nc(N)nc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
DHFR P00374 3/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
TLR8 Q9NR97 2/20 0.37
ADORA2A P29274 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RXFP1 Q9HBX9 2/20 0.36
MAPT P10636 1/20 0.36
MAP4K4 O95819 4/20 0.36
SCN9A Q15858 1/20 0.35
MGMT P16455 1/20 0.35
GAK O14976 1/20 0.35
ALOX5 P09917 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL4108718 0.90 CDK1 (0.39) MPODHFRRAB9ANPC1TLR8
SCHEMBL823714 0.89 MAPT (0.40) DHFRALDH1A1RAB9ANPC1MAPK1
SCHEMBL3608749 0.89 NCF1 (0.38) MPODHFRTLR8ADORA2AKDM4E
SCHEMBL4113486 0.89 TLR8 (0.42) MPODHFRALDH1A1RAB9ANPC1
SCHEMBL4537635 0.88 MAP4K4 (0.46) MAP4K4
Morpholine SCHEMBL4524928 0.88 PDE5A (0.35) MPODHFRRXFP1MAP4K4GAK
SCHEMBL4513221 0.88 RXFP1 (0.43) MPODHFRALDH1A1RAB9ANPC1
SCHEMBL4529751 0.87 MAP4K4 (0.44) DHFRALDH1A1RAB9ANPC1MAPK1
SCHEMBL4533861 0.87 PIK3CG (0.43) DHFRALDH1A1RAB9ANPC1MAPK1
SCHEMBL4525197 0.86 ALDH1A1 (0.52) DHFRALDH1A1RAB9ANPC1MAPK1

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (5 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 MPO 3990/4885DHFR 13/4885ALDH1A1 1010/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MPO 2947/4885DHFR 16/4885ALDH1A1 1225/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MPO 2947/4885DHFR 16/4885ALDH1A1 1225/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP MPO 2947/4885DHFR 16/4885ALDH1A1 1225/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MPO 3459/4885DHFR 20/4885ALDH1A1 1142/4885

“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.