SCHEMBL5113342

SCHEMBL5113342

C=CCNc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
KIT P10721 2/20 0.47
BRAF P15056 4/20 0.47
RAF1 P04049 2/20 0.47
RET P07949 1/20 0.46
TEK Q02763 2/20 0.46
NTRK1 P04629 2/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AURKA O14965 1/20 0.45
ABL1 P00519 1/20 0.44
SRC P12931 1/20 0.44
RIPK1 Q13546 1/20 0.44
TOP2B Q02880 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
EPHB4 P54760 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL5108130 0.92 KDR (0.48) KDRKITBRAFRAF1RET
SCHEMBL5106873 0.89 KDR (0.51) KDRKITBRAFRAF1RET
SCHEMBL5106519 0.89 KDR (0.49) KDRKITBRAFRAF1RET
SCHEMBL5112537 0.88 KIT (0.49) KDRKITBRAFRAF1RET
SCHEMBL5108224 0.88 KDR (0.48) KDRKITBRAFRAF1RET
SCHEMBL5120918 0.88 KDR (0.49) KDRKITBRAFRAF1RET
SCHEMBL5116271 0.87 KDR (0.50) KDRKITBRAFRAF1RET
SCHEMBL5119394 0.87 KDR (0.54) KDRKITBRAFRAF1RET
Hydrochloric Acid SCHEMBL5107728 0.86 KDR (0.53) KDRKITBRAFRAF1RET
SCHEMBL6014146 0.86 KDR (0.47) KDRKITBRAFRAF1RET

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 5 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
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 2440/4885KIT 3272/4885BRAF 1735/4885

“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.