SCHEMBL6319736

SCHEMBL6319736

Cn1ncc2cc(-c3cnc(N)nc3Nc3cnc4ccccc4c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
TRPA1 O75762 1/20 0.43
TGFBR1 P36897 1/20 0.41
PIK3CA P42336 6/20 0.41
USP7 Q93009 1/20 0.41
GRM4 Q14833 2/20 0.40
TNF P01375 1/20 0.40
CYP1A2 P05177 1/20 0.40
SYK P43405 1/20 0.40
DHFR P00374 1/20 0.39
AR P10275 2/20 0.38
NOTUM Q6P988 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37

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
SCHEMBL6318862 0.84 DHFR (0.56) PIK3CAGRM4TNFDHFR
SCHEMBL6318945 0.79 TNF (0.44) PIK3CAGRM4TNFDHFR
SCHEMBL6315288 0.77 PDGFRB (0.49) PIK3CAGRM4TNF
SCHEMBL6313126 0.77 HTR3A (0.52) PIK3CADHFR
SCHEMBL6315310 0.76 ADORA1 (0.45) PIK3CATNFDHFR
SCHEMBL6313731 0.76 PIK3CA (0.41) PIK3CAGRM4TNFSYKDHFR
SCHEMBL6313258 0.76 DYRK1A (0.43) TGFBR1PIK3CAGRM4TNFDHFR
SCHEMBL6312244 0.76 CYP1A2 (0.52) PIK3CATNFCYP1A2
SCHEMBL6312550 0.75 CA12 (0.56) PIK3CAGRM4TNFCYP1A2
SCHEMBL6313300 0.74 ABCG2 (0.46) PIK3CAGRM4TNFSYKDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT CDC7 2635/4885TRPA1 1962/4885TGFBR1 4349/4885

“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.