SCHEMBL3531165

SCHEMBL3531165

NC(=O)Nc1ccc(Nc2ncnc3[nH]ccc(=O)c23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.50
▸ AURKB Q96GD4 2/20 0.50
▸ INCENP Q9NQS7 1/20 0.49
▸ TTBK1 Q5TCY1 9/20 0.48
▸ TTBK2 Q6IQ55 9/20 0.48
▸ CDC7 O00311 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PIM1 P11309 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ HIPK2 Q9H2X6 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ RET P07949 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL3761579 0.85 TTBK1 (0.55) EGFRAURKBTTBK1TTBK2
SCHEMBL3533225 0.82 EGFR (0.70) EGFRAURKBINCENPTTBK1TTBK2
SCHEMBL12391456 0.82 TTBK1 (0.56) EGFRTTBK1TTBK2MAPT
SCHEMBL13058088 0.80 TTBK1 (0.45) EGFRAURKBTTBK1TTBK2
SCHEMBL3757431 0.78 TTBK1 (0.62) EGFRTTBK1TTBK2MAPT
SCHEMBL3767014 0.77 BTK (0.52) EGFRAURKBINCENPRET
SCHEMBL3770474 0.77 EGFR (0.52) EGFRAURKBINCENPROCK2RET
SCHEMBL3767827 0.77 CDK8 (0.50) AURKBRET
SCHEMBL3762938 0.77 RET (0.60) AURKBTTBK1ROCK2MAP4K4GSK3B
SCHEMBL3763767 0.77 NTRK1 (0.51) AURKBTTBK1TTBK2RETBRAF

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-7662827-B2 Pyrazole derivatives having tyrosine kinase inhibitory activity MERCK PATENT GMBH (DE) 2010-02-16 — — US disclosed
US-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 — — 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-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity TIE1, FER, ROS1 EGFR 319/4885AURKB 261/4885INCENP 2721/4885

“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.

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