SCHEMBL4526022

SCHEMBL4526022

CCOc1nc(N)nc2ccc(-c3cc(F)c(F)c(F)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.40
MAP4K4 O95819 15/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
TRPV3 Q8NET8 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
SCHEMBL4526798 0.89 MAP4K4 (0.41) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4537635 0.89 MAP4K4 (0.46) MAP4K4
SCHEMBL4412818 0.88 MAP4K4 (0.38) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4513145 0.86 MAP4K4 (0.42) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4526296 0.85 ALDH1A1 (0.47) MAP4K4NPC1ALDH1A1RAB9A
SCHEMBL4533771 0.85 MAP4K4 (0.39) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4122428 0.85 MPO (0.39) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4528297 0.84 MAP4K4 (0.49) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4525204 0.83 MAP4K4 (0.44) DHFRMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4522359 0.83 MPO (0.37) DHFRMAP4K4NPC1ALDH1A1MAPK1

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-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
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 DHFR 13/4885MAP4K4 3289/4885NPC1 1302/4885

“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.