SCHEMBL5112498

SCHEMBL5112498

CNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.59
▸ AURKB Q96GD4 2/20 0.59
▸ AURKA O14965 1/20 0.59
▸ NTRK1 P04629 2/20 0.54
▸ NTRK3 Q16288 2/20 0.54
▸ NTRK2 Q16620 2/20 0.54
▸ PLK4 O00444 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ FLT1 P17948 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ IRAK1 P51617 1/20 0.54
▸ NEK2 P51955 1/20 0.54
▸ NEK4 P51957 1/20 0.54
▸ PRKCD Q05655 1/20 0.54
▸ MAP4K2 Q12851 1/20 0.54
▸ STK3 Q13188 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ DYRK1A Q13627 1/20 0.54

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
SCHEMBL4876293 0.87 KDR (0.62) KDRAURKBAURKAFLT1ABL1
SCHEMBL5108460 0.87 PTK2 (0.48) KDRAURKBAURKANTRK1NTRK3
SCHEMBL4868939 0.86 KDR (0.61) KDRAURKBAURKANTRK1NTRK2
SCHEMBL14191855 0.85 ABL1 (0.43) KDRAURKBAURKANTRK1NTRK3
SCHEMBL5104143 0.85 PTK2 (0.43) KDRAURKBAURKANTRK1NTRK3
SCHEMBL5121136 0.85 PTK2 (0.43) KDRAURKBAURKANTRK1NTRK3
SCHEMBL5119394 0.85 KDR (0.54) KDRNTRK1NTRK3NTRK2ABL1
SCHEMBL5106187 0.84 ABL1 (0.46) KDRAURKBAURKANTRK1NTRK3
Hydrochloric Acid SCHEMBL5107728 0.84 KDR (0.53) KDRNTRK1NTRK3NTRK2ABL1
SCHEMBL5104793 0.83 PTK2B (0.43) KDRAURKBAURKANTRK1NTRK3

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-8609656-B2 Heteroarylphenylurea derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-12-17 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
US-20080119466-A1 Heteroarylphenylurea Derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-22 — — US disclosed
EP-1724258-A1 HETEROARYLPHENYLUREA DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 — — EP 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-20080119466-A1 Heteroarylphenylurea Derivative CHRM1, CBR3, CHRM2 KDR 2440/4885AURKB 2493/4885AURKA 2697/4885

“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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