SCHEMBL4526538

SCHEMBL4526538

COCCOc1nc(N)nc2ccc(-c3ccc(OC)c(F)c3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SYK P43405 2/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MET P08581 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL4523926 0.90 NOS1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2SYK
SCHEMBL4526302 0.90 MAP4K4 (0.39) PDGFRBPDGFRAPDE4APDE4BPDE4C
SCHEMBL4526296 0.89 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4520221 0.87 MAP4K4 (0.40) PDE4APDE4BPDE4CPDE4DMAP4K4
SCHEMBL4533791 0.85 MAP4K4 (0.42) METPDE4APDE4BPDE4CPDE4D
SCHEMBL3613491 0.84 SQOR (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4527647 0.84 SQOR (0.43) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL3609404 0.82 NOS1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4516860 0.82 MAPT (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4527664 0.81 TSHR (0.42) ALDH1A1RAB9AKDM4EHPGDLMNA

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 ALDH1A1 1010/4885NPC1 1302/4885RAB9A 3771/4885

“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.