SCHEMBL4101346

SCHEMBL4101346

Nc1nc(N2CCOCC2)c2nc(-c3ccc4[nH]ccc4c3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
PRKDC P78527 3/20 0.46
MTOR P42345 8/20 0.45
PIK3CA P42336 6/20 0.45
CYP2C9 P11712 1/20 0.45
ATR Q13535 1/20 0.45
NOS1 P29475 2/20 0.44
GRIA1 P42261 1/20 0.44
PIK3CD O00329 4/20 0.42
PIK3CG P48736 2/20 0.41
MAP3K11 Q16584 1/20 0.41
PDPK1 O15530 1/20 0.41

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
SCHEMBL3755300 0.83 NOS1 (0.67) JAK2PRKDCMTORPIK3CACYP2C9
SCHEMBL4528710 0.82 PIK3CD (0.54) PRKDCMTORPIK3CANOS1PIK3CD
SCHEMBL4114399 0.81 NOS1 (0.47) JAK2PRKDCMTORPIK3CANOS1
SCHEMBL4107655 0.81 AR (0.50) PRKDCMTORPIK3CANOS1PIK3CD
SCHEMBL4101991 0.80 NOS1 (0.52) PRKDCMTORPIK3CANOS1PIK3CD
SCHEMBL4114309 0.80 NOS1 (0.52) PRKDCMTORPIK3CANOS1GRIA1
SCHEMBL4528169 0.80 PIK3CA (0.48) PRKDCMTORPIK3CANOS1PIK3CD
SCHEMBL4101506 0.79 NOS1 (0.45) PRKDCMTORPIK3CANOS1PIK3CD
SCHEMBL4121640 0.79 PDE4A (0.46) PRKDCMTORPIK3CANOS1PIK3CD
SCHEMBL3930176 0.79 GAK (0.63) MTORPIK3CACYP2C9NOS1

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 JAK2 1569/4885PRKDC 2741/4885MTOR 4361/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP JAK2 1838/4885PRKDC 1238/4885MTOR 2579/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP JAK2 1838/4885PRKDC 1238/4885MTOR 2579/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP JAK2 1838/4885PRKDC 1238/4885MTOR 2579/4885

“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.