SCHEMBL5108552

SCHEMBL5108552

O=C(Nc1ccc(-n2cnc3c(N4CCOC4=O)ncnc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.47
RIPK1 Q13546 1/20 0.45
RAF1 P04049 4/20 0.45
KDR P35968 6/20 0.44
BRAF P15056 5/20 0.44
MAPK14 Q16539 1/20 0.44
NTRK1 P04629 1/20 0.43
NTRK3 Q16288 1/20 0.43
NTRK2 Q16620 1/20 0.43
FLT3 P36888 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
KIT P10721 2/20 0.43
CDK8 P49336 2/20 0.42
CCNC P24863 1/20 0.41
PTK2 Q05397 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL5114525 0.87 RAF1 (0.57) RETRIPK1RAF1KDRBRAF
SCHEMBL14191839 0.86 KDR (0.49) RETRIPK1RAF1KDRBRAF
SCHEMBL5106085 0.86 BRAF (0.48) RETRIPK1RAF1KDRBRAF
SCHEMBL5105527 0.85 KDR (0.45) RETRIPK1RAF1KDRBRAF
SCHEMBL14191844 0.84 RET (0.48) RETRIPK1RAF1KDRBRAF
Hydrochloric Acid SCHEMBL5120624 0.83 RET (0.47) RETRIPK1RAF1KDRBRAF
SCHEMBL5105069 0.83 RIPK1 (0.58) RIPK1RAF1KDRBRAFFLT3
Hydrochloric Acid SCHEMBL5106721 0.82 RIPK1 (0.57) RIPK1RAF1KDRBRAFFLT3
SCHEMBL5106082 0.81 KDR (0.53) RETRIPK1RAF1KDRBRAF
SCHEMBL5108375 0.80 KDR (0.53) RETRIPK1RAF1KDRBRAF

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 RET 1232/4885RIPK1 4057/4885RAF1 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.