SCHEMBL5120746

SCHEMBL5120746

O=C(Nc1ccc(-n2cnc3c(C(=O)O)nccc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 10/20 0.54
▸ RAF1 P04049 4/20 0.51
▸ RIPK1 Q13546 2/20 0.50
▸ AURKA O14965 2/20 0.49
▸ AURKB Q96GD4 2/20 0.49
▸ BRAF P15056 6/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CIT O14578 1/20 0.47
▸ MUSK O15146 1/20 0.47
▸ EPHB6 O15197 1/20 0.47
▸ MAPK13 O15264 1/20 0.47

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
SCHEMBL5110320 0.90 KDR (0.56) KDRRAF1RIPK1AURKAAURKB
SCHEMBL5119009 0.90 KDR (0.59) KDRRAF1RIPK1AURKAAURKB
Hydrochloric Acid SCHEMBL5105086 0.89 RAF1 (0.52) KDRRAF1RIPK1AURKAAURKB
SCHEMBL5120556 0.89 RIPK1 (0.59) KDRRAF1RIPK1AURKAAURKB
SCHEMBL14191809 0.88 KDR (0.53) KDRRAF1RIPK1AURKAAURKB
Hydrochloric Acid SCHEMBL5114832 0.87 KDR (0.52) KDRRAF1RIPK1AURKAAURKB
SCHEMBL5104724 0.87 KDR (0.53) KDRRAF1RIPK1AURKAAURKB
Hydrochloric Acid SCHEMBL5114838 0.87 RAF1 (0.50) KDRRAF1RIPK1AURKAAURKB
SCHEMBL5105289 0.86 KDR (0.55) KDRRAF1RIPK1AURKAAURKB
SCHEMBL5108375 0.86 KDR (0.53) KDRRAF1RIPK1BRAFHDAC1

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-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
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 2440/4885RAF1 1479/4885RIPK1 4057/4885

“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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