SCHEMBL5116432

SCHEMBL5116432

CCCCNC(=O)Nc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
KIT P10721 2/20 0.47
SLC6A3 Q01959 5/20 0.47
BRAF P15056 4/20 0.46
RAF1 P04049 2/20 0.46
NTRK1 P04629 2/20 0.46
AURKA O14965 1/20 0.46
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
RET P07949 1/20 0.44
CASR P41180 1/20 0.43
EGFR P00533 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
SCHEMBL5104486 0.95 KDR (0.49) KDRKITSLC6A3BRAFRAF1
SCHEMBL5112100 0.92 KDR (0.51) KDRKITBRAFRAF1NTRK1
SCHEMBL5120076 0.91 KDR (0.49) KDRKITSLC6A3BRAFRAF1
SCHEMBL5105647 0.91 KDR (0.48) KDRKITSLC6A3BRAFRAF1
SCHEMBL5119967 0.90 KIT (0.48) KDRKITSLC6A3BRAFRAF1
SCHEMBL5105279 0.90 ATM (0.49) KDRKITBRAFRAF1NTRK1
SCHEMBL5107666 0.90 KDR (0.51) KDRKITBRAFRAF1NTRK1
SCHEMBL14191819 0.90 KDR (0.49) KDRKITBRAFRAF1NTRK1
SCHEMBL5105204 0.88 KDR (0.49) KDRKITBRAFRAF1NTRK1
SCHEMBL5112818 0.88 KDR (0.53) KDRKITSLC6A3BRAFRAF1

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 2440/4885KIT 3272/4885SLC6A3 414/4885

“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.