SCHEMBL4113278

SCHEMBL4113278

Cc1csc(-c2ccc3nc(N)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
PRKDC P78527 1/20 0.42
HRH4 Q9H3N8 3/20 0.40
NUDT1 P36639 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PIK3CA P42336 4/20 0.39
AR P10275 1/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CG P48736 3/20 0.38
MTOR P42345 2/20 0.38
GAK O14976 1/20 0.36
DHFR P00374 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4119557 0.84 NOS1 (0.46) NOS1PRKDCHRH4NUDT1CRHBP
SCHEMBL3757268 0.82 NOS1 (0.60) NOS1PRKDCNUDT1CRHBPCRHR2
SCHEMBL4116775 0.81 NPC1 (0.51) NOS1PRKDCHRH4PIK3CAPIK3CD
SCHEMBL4121678 0.79 NOS1 (0.45) NOS1PRKDCHRH4NUDT1CRHBP
SCHEMBL4107831 0.77 NOS1 (0.53) NOS1PRKDCHRH4PIK3CAAR
SCHEMBL4113188 0.76 AR (0.51) NOS1PRKDCHRH4PIK3CAAR
SCHEMBL4528710 0.76 PIK3CD (0.54) NOS1PRKDCHRH4PIK3CAPIK3CD
SCHEMBL4101506 0.75 NOS1 (0.45) NOS1PRKDCHRH4NUDT1CRHBP
SCHEMBL4119421 0.75 CYP1A2 (0.50) NOS1PRKDCNUDT1PIK3CAPIK3CD
SCHEMBL4116480 0.75 NOS1 (0.49) NOS1PRKDCHRH4PIK3CAPIK3CD

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 7 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 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
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP 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
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO 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 NOS1 4251/4885PRKDC 2741/4885HRH4 1280/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NOS1 334/4885PRKDC 1238/4885HRH4 2398/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NOS1 334/4885PRKDC 1238/4885HRH4 2398/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NOS1 334/4885PRKDC 1238/4885HRH4 2398/4885

“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.