SCHEMBL4095470

SCHEMBL4095470

Nc1nc(C2CC2)c2nc(Cl)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.35
DHFR P00374 4/20 0.34
MAP4K4 O95819 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
NUDT1 P36639 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CG P48736 1/20 0.32
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4097074 0.94 HRH3 (0.38) ACHEDHFRMAP4K4HRH2HRH3
SCHEMBL4103474 0.92 HRH3 (0.40) DHFRMAP4K4ALDH1A1HRH2HRH3
SCHEMBL4573345 0.83 FABP4 (0.33) ACHEHSD17B10
SCHEMBL31026157 0.75 EGFR (0.40) ACHEMAP4K4PIK3CG
SCHEMBL22715132 0.75 EGFR (0.40) ACHEMAP4K4PIK3CG
SCHEMBL29439675 0.74 DHFR (0.53) DHFRMAP4K4
SCHEMBL3922711 0.74 DHFR (0.53) DHFRMAP4K4
SCHEMBL29439730 0.73 PDE10A (0.45) ACHEDHFRMAP4K4HSD17B10
SCHEMBL22715592 0.73 PDE10A (0.45) ACHEDHFRMAP4K4HSD17B10
SCHEMBL4097056 0.73 HRH2 (0.40) DHFRMAP4K4ALDH1A1HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD ACHE 3004/4885DHFR 145/4885MAP4K4 2166/4885

“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.