SCHEMBL4101827

SCHEMBL4101827

COc1ccc(-c2ccc3nc(N)nc(Nc4cccc(Br)c4)c3n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.62
ABCG2 Q9UNQ0 4/20 0.56
ABCB1 P08183 2/20 0.56
ABCC1 P33527 1/20 0.56
FBP1 P09467 2/20 0.47
PRKCQ Q04759 1/20 0.46
KDR P35968 4/20 0.46
ERBB2 P04626 2/20 0.46
TNF P01375 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAK O14976 1/20 0.46
MAPK13 O15264 1/20 0.46
ABL1 P00519 1/20 0.46
CYP1A2 P05177 1/20 0.46
CDK1 P06493 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
SRC P12931 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
SCHEMBL3921857 0.89 EGFR (0.47) EGFRABCG2ABCB1ABCC1KDM4E
SCHEMBL4107861 0.89 EGFR (0.49) EGFRABCG2ABCB1ABCC1KDR
SCHEMBL3994939 0.88 ABCG2 (0.57) EGFRABCG2ABCB1ABCC1PRKCQ
SCHEMBL4102484 0.88 PDE4A (0.50) EGFRABCG2ABCB1ABCC1FBP1
SCHEMBL4113225 0.88 EGFR (0.47) EGFRABCG2ABCB1ABCC1KDM4E
SCHEMBL4101052 0.85 ABCG2 (0.46) EGFRABCG2ABCB1ABCC1KDR
SCHEMBL4355114 0.85 EGFR (0.76) EGFRABCG2ABCB1ABCC1FBP1
SCHEMBL4103297 0.84 PDE4A (0.47) EGFRABCG2ABCB1ABCC1KDM4E
SCHEMBL4116415 0.84 PDE4A (0.51) EGFRABCG2ABCB1ABCC1PRKCQ
SCHEMBL4119338 0.84 PDE4A (0.47) EGFRABCG2ABCB1ABCC1KDM4E

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-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US claimed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US claimed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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-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-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 (4 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 EGFR 3525/4885ABCG2 494/4885ABCB1 738/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885ABCG2 1642/4885ABCB1 790/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885ABCG2 1642/4885ABCB1 790/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP EGFR 3724/4885ABCG2 1642/4885ABCB1 790/4885

“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.