SCHEMBL4121678

SCHEMBL4121678

Nc1nc(N2CCOCC2)c2nc(-c3ccc(Cl)s3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.45
PRKDC P78527 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PIK3CD O00329 4/20 0.40
PIK3CA P42336 3/20 0.40
PIK3CG P48736 3/20 0.40
MTOR P42345 2/20 0.40
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
NCF1 P14598 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
PDE4A P27815 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
SCHEMBL4119557 0.87 NOS1 (0.46) NOS1PRKDCMAPTPIK3CDPIK3CA
SCHEMBL823685 0.82 MAPT (0.49) NOS1PRKDCMAPTCYP1A2CYP2D6
SCHEMBL3759948 0.82 NOS1 (0.65) NOS1PRKDCMAPTCYP1A2CYP2D6
SCHEMBL4116775 0.81 NPC1 (0.51) NOS1PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL4101991 0.81 NOS1 (0.52) NOS1PRKDCMAPTPIK3CDPIK3CA
SCHEMBL4113278 0.79 NOS1 (0.43) NOS1PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL4107655 0.78 AR (0.50) NOS1PRKDCMAPTCYP1A2CYP2D6
SCHEMBL4528710 0.78 PIK3CD (0.54) NOS1PRKDCMAPTPIK3CDPIK3CA
SCHEMBL4107831 0.77 NOS1 (0.53) NOS1PRKDCMAPTPIK3CDPIK3CA
SCHEMBL4113188 0.77 AR (0.51) NOS1PRKDCPIK3CDPIK3CAPIK3CG

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 2741/4885MAPT 2859/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NOS1 334/4885PRKDC 1238/4885MAPT 1541/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NOS1 334/4885PRKDC 1238/4885MAPT 1541/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP NOS1 334/4885PRKDC 1238/4885MAPT 1541/4885

“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.