SCHEMBL5120076

SCHEMBL5120076

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.49
BRAF P15056 3/20 0.47
RAF1 P04049 3/20 0.47
NTRK1 P04629 2/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
KIT P10721 2/20 0.46
AURKA O14965 1/20 0.45
RET P07949 1/20 0.44
CASR P41180 1/20 0.44
SLC6A3 Q01959 1/20 0.43
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
MAPK3 P27361 1/20 0.42
RIPK1 Q13546 1/20 0.42

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 0.93 KDR (0.49) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5105647 0.92 KDR (0.48) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5116271 0.92 KDR (0.50) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5116432 0.91 KDR (0.48) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5119967 0.91 KIT (0.48) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5112100 0.91 KDR (0.51) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5105279 0.91 ATM (0.49) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5112818 0.90 KDR (0.53) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL5105204 0.89 KDR (0.49) KDRBRAFRAF1NTRK1NTRK3
SCHEMBL14191811 0.89 KDR (0.52) KDRBRAFRAF1NTRK1NTRK3

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 2440/4885BRAF 1735/4885RAF1 1479/4885

“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.