SCHEMBL3600527

SCHEMBL3600527

Nc1nc(C=S)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.41
ADORA2A P29274 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAP4K4 O95819 3/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 1/20 0.37
RAB9A P51151 1/20 0.37
NOS1 P29475 1/20 0.36
SCN9A Q15858 1/20 0.35
GAK O14976 1/20 0.34
CYP1A2 P05177 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE5A O76074 1/20 0.33
TOP1 P11387 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL4112539 0.86 DHFR (0.41) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4107646 0.81 DHFR (0.40) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4107648 0.81 DHFR (0.40) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4533992 0.80 DHFR (0.39) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4112813 0.79 ADORA2A (0.54) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4101254 0.78 DHFR (0.47) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4530114 0.78 DHFR (0.37) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL4101985 0.77 ADORA2A (0.39) DHFRADORA2AKDM4EMAP4K4ALDH1A1
SCHEMBL3617986 0.77 KDM4E (0.47) DHFRKDM4EALDH1A1RAB9ANOS1
SCHEMBL4526710 0.74 ALDH1A1 (0.41) DHFRADORA2AKDM4EMAP4K4ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8637531-B2 Pyrido(3,2-d)pyridmidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-01-28 US disclosed
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-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS Gilead Science, Inc (US) 2010-02-25 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
WO-2008077650-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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 (2 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 DHFR 13/4885ADORA2A 252/4885KDM4E 3685/4885
US-20100048559-A1 PYRIDO(3,2-d)PYRIDMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, PLPBP, PDXK DHFR 37/4885ADORA2A 301/4885KDM4E 2887/4885

“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.