SCHEMBL4533994

SCHEMBL4533994

Nc1nc(CCS)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.46
MAP4K4 O95819 5/20 0.40
KDM4E B2RXH2 2/20 0.38
ADORA2A P29274 1/20 0.38
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 1/20 0.36
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
SCN9A Q15858 1/20 0.34
GAK O14976 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NOS1 P29475 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 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
SCHEMBL3600529 0.90 DHFR (0.44) DHFRMAP4K4KDM4EADORA2APDE5A
SCHEMBL4095651 0.88 DHFR (0.43) DHFRMAP4K4KDM4EADORA2AALDH1A1
SCHEMBL4101030 0.84 DHFR (0.41) DHFRMAP4K4KDM4EADORA2AALDH1A1
SCHEMBL4107564 0.84 TLR8 (0.44) DHFRMAP4K4KDM4EADORA2ATLR8
SCHEMBL4097047 0.84 DHFR (0.40) DHFRMAP4K4KDM4EADORA2APDE5A
SCHEMBL4108435 0.83 DHFR (0.46) DHFRMAP4K4KDM4EADORA2APDE5A
SCHEMBL4095998 0.83 DHFR (0.44) DHFRKDM4EADORA2ATLR8TLR7
SCHEMBL4112556 0.83 DHFR (0.44) DHFRKDM4EADORA2ATLR8TLR7
SCHEMBL4114164 0.83 DHFR (0.44) DHFRKDM4EADORA2ATLR8TLR7
SCHEMBL4102765 0.83 DHFR (0.44) DHFRKDM4EADORA2ATLR8TLR7

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 6 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-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-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 DHFR 13/4885MAP4K4 3289/4885KDM4E 3685/4885

“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.