SCHEMBL5114525

SCHEMBL5114525

O=C(Nc1ccc(-n2cnc3c(N4CCOCC4)ncnc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.57
BRAF P15056 6/20 0.53
MAPK14 Q16539 2/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
MCL1 Q07820 1/20 0.51
RET P07949 1/20 0.48
KDR P35968 5/20 0.47
RIPK1 Q13546 1/20 0.47
EGFR P00533 1/20 0.46
FLT3 P36888 1/20 0.46
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
FLT4 P35916 1/20 0.45
BTK Q06187 1/20 0.45
MELK Q14680 1/20 0.45
MINK1 Q8N4C8 1/20 0.45

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
SCHEMBL14191844 0.90 RET (0.48) RAF1BRAFRETKDRRIPK1
Hydrochloric Acid SCHEMBL5120624 0.89 RET (0.47) RAF1BRAFRETKDRRIPK1
SCHEMBL5105436 0.89 RAF1 (0.47) RAF1BRAFMAPK14MEN1LMNA
SCHEMBL5140028 0.87 BRAF (0.50) RAF1BRAFMAPK14MEN1LMNA
SCHEMBL5108552 0.87 RET (0.47) RAF1BRAFMAPK14RETKDR
SCHEMBL14191839 0.84 KDR (0.49) RAF1BRAFRETKDRRIPK1
SCHEMBL5113288 0.84 BRAF (0.57) RAF1BRAFMAPK14RETKDR
SCHEMBL5105069 0.84 RIPK1 (0.58) RAF1BRAFKDRRIPK1FLT3
SCHEMBL5106085 0.84 BRAF (0.48) RAF1BRAFMAPK14RETKDR
Hydrochloric Acid SCHEMBL5106721 0.83 RIPK1 (0.57) RAF1BRAFKDRRIPK1FLT3

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 RAF1 1479/4885BRAF 1735/4885MAPK14 1165/4885

“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.