SCHEMBL4526152

SCHEMBL4526152

Nc1nc2ccc(-c3ccccc3)nc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.61
QTRT1 Q9BXR0 1/20 0.54
XDH P47989 9/20 0.51
TYMS P04818 3/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
PNP P00491 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3601576 0.85 NOS1 (0.63) NOS1QTRT1XDHTYMS
SCHEMBL4102398 0.79 TYMS (0.49) NOS1XDHTYMSPNPNPC1
SCHEMBL4107852 0.77 TNKS (0.63) KDM4ENPC1RAB9A
SCHEMBL3444579 0.76 NOS1 (1.00) NOS1XDHFGFR1FGFR2KDM4E
SCHEMBL3922280 0.76 NOS1 (0.43) NOS1TYMS
SCHEMBL3608106 0.76 XDH (0.48) XDHTYMSKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL4107909 0.74 XDH (0.47) XDHTYMSKDM4ENPC1RAB9A
SCHEMBL3931274 0.74 DHFR (0.53) NOS1KDM4ENPC1RAB9A
SCHEMBL3920173 0.74 KMO (0.44) NOS1XDHTYMSKDM4ENPC1
SCHEMBL4525328 0.74 FGFR1 (0.54) XDHFGFR1FGFR2KDM4ENPC1

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 5 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-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
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
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 (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 NOS1 4251/4885QTRT1 1994/4885XDH 26/4885

“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.