SCHEMBL4536285

SCHEMBL4536285

COCCOc1nc(N)nc2ccc(-c3ccc(CNC(C)=O)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 3/20 0.38
PIK3CA P42336 1/20 0.38
MGMT P16455 1/20 0.38
VHL P40337 1/20 0.37
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NOD2 Q9HC29 1/20 0.35
HDAC1 Q13547 3/20 0.35
TP53 P04637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4521670 0.86 MEN1 (0.44) ATRMAPTKDM4ERXFP1PIK3CA
SCHEMBL4535000 0.85 S1PR1 (0.35) ATRSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4526324 0.84 CBFB (0.42) ATRPIK3CA
SCHEMBL823734 0.82 MKNK2 (0.41) ATRSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL4519618 0.82 PIK3CG (0.40) MAPTNPC1PIK3CA
SCHEMBL823688 0.82 PDE4A (0.40) ATRMAPTSMN1; SMN2KDM4EPIK3CA
SCHEMBL4516860 0.81 MAPT (0.41) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL823773 0.81 MKNK2 (0.46) MKNK1MKNK2ROCK2HDAC4
SCHEMBL4527664 0.81 TSHR (0.42) MAPTRAB9AKDM4EPIK3CAALDH1A1
SCHEMBL823644 0.80 NPC1 (0.42) MAPTSMN1; SMN2RAB9ANPC1KDM4E

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 ATR 3239/4885MAPT 2859/4885SMN1; SMN2 2873/4885

“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.