SCHEMBL4102398

SCHEMBL4102398

Nc1nc2ccc(-c3ccc(Cl)c(Cl)c3)nc2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.49
XDH P47989 1/20 0.46
KMO O15229 2/20 0.44
PNP P00491 1/20 0.44
NOS1 P29475 3/20 0.43
TRPV1 Q8NER1 1/20 0.39
MAP4K4 O95819 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4113800 0.82 TYMS (0.44) TYMSXDHNOS1TRPV1
SCHEMBL3601576 0.79 NOS1 (0.63) TYMSXDHNOS1
SCHEMBL4526152 0.79 NOS1 (0.61) TYMSXDHPNPNOS1NPC1
SCHEMBL3608106 0.78 XDH (0.48) TYMSXDHNPC1RAB9A
SCHEMBL3922280 0.78 NOS1 (0.43) TYMSNOS1TRPV1
SCHEMBL3931274 0.77 DHFR (0.53) NOS1TRPV1NPC1RAB9A
Hydrochloric Acid SCHEMBL4107909 0.77 XDH (0.47) TYMSXDHNPC1RAB9A
SCHEMBL4113880 0.77 ABL1 (0.48) KMO
SCHEMBL3920173 0.76 KMO (0.44) TYMSXDHKMONOS1NPC1
SCHEMBL4108730 0.75 CYP1A1 (0.51) TYMSXDHRAB9A

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
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
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 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 TYMS 4/4885XDH 26/4885KMO 1151/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TYMS 5/4885XDH 33/4885KMO 53/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TYMS 5/4885XDH 33/4885KMO 53/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP TYMS 5/4885XDH 33/4885KMO 53/4885

“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.