SCHEMBL4526798

SCHEMBL4526798

CCOc1nc(N)nc2ccc(-c3ccc(F)c(F)c3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.41
DHFR P00374 3/20 0.39
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38
TOP1 P11387 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMO O15229 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
GPR68 Q15743 1/20 0.34

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
SCHEMBL4412818 0.92 MAP4K4 (0.38) MAP4K4DHFRMINK1TNIKNPC1
SCHEMBL4513145 0.90 MAP4K4 (0.42) MAP4K4DHFRMINK1TNIKNPC1
SCHEMBL4525204 0.90 MAP4K4 (0.44) MAP4K4DHFRMINK1TNIKNPC1
SCHEMBL4526022 0.89 DHFR (0.40) MAP4K4DHFRMINK1TNIKNPC1
SCHEMBL4526296 0.89 ALDH1A1 (0.47) MAP4K4NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4526302 0.87 MAP4K4 (0.39) MAP4K4DHFRMINK1TNIKTOP1
SCHEMBL4122428 0.86 MPO (0.39) MAP4K4DHFRNPC1RAB9AALDH1A1
SCHEMBL4412814 0.86 MET (0.40) MAP4K4MAPK1SMN1; SMN2HSD17B10
SCHEMBL4537635 0.85 MAP4K4 (0.46) MAP4K4
SCHEMBL4122691 0.84 MAP4K4 (0.55) MAP4K4NPC1RAB9AALDH1A1MAPK1

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 4 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

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 MAP4K4 3289/4885DHFR 13/4885MINK1 3501/4885

“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.