SCHEMBL4527664

SCHEMBL4527664

COCCOc1nc(N)nc2ccc(-c3ccc(C)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
NOS1 P29475 1/20 0.38
MPO P05164 1/20 0.38
DHFR P00374 5/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
ADORA2A P29274 1/20 0.35
HSP90AB1 P08238 1/20 0.35
PIK3CA P42336 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 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
SCHEMBL4516860 0.91 MAPT (0.41) TSHRNOS1KDM4EALDH1A1HPGD
SCHEMBL4519618 0.89 PIK3CG (0.40) TSHRDHFRPIK3CAMAPTPIK3CD
SCHEMBL4520304 0.89 MAP4K4 (0.41) TSHRDHFRKDM4EALDH1A1HSD17B10
SCHEMBL3613491 0.89 SQOR (0.45) TSHRMPODHFRKDM4EADORA2A
SCHEMBL4534010 0.89 TSHR (0.46) TSHRNOS1MPOALDH1A1ADORA2A
SCHEMBL4528643 0.88 TSHR (0.39) TSHRALDH1A1PIK3CARAB9APIK3CD
SCHEMBL4526324 0.87 CBFB (0.42) TSHRDHFRPIK3CAPIK3CDPIK3CB
SCHEMBL4527647 0.86 SQOR (0.43) TSHRMPODHFRKDM4EADORA2A
SCHEMBL4521271 0.86 MPO (0.40) TSHRMPOKDM4EHTTMAP4K4
SCHEMBL4513221 0.86 RXFP1 (0.43) NOS1MPODHFRKDM4EALDH1A1

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 TSHR 3042/4885NOS1 4251/4885MPO 3990/4885

“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.