SCHEMBL101332

SCHEMBL101332

O=C(NCc1ccc(Oc2cccnc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.63
NAMPT P43490 4/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
RAB9A P51151 1/20 0.59
CDK8 P49336 3/20 0.57
KDR P35968 2/20 0.53
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL103497 0.92 NAMPT (0.63) RAF1NAMPTCA1CA2CA7
SCHEMBL104548 0.89 CA7 (0.63) RAF1NAMPTCA1CA2CA7
SCHEMBL171340 0.89 NAMPT (0.60) RAF1NAMPTCA1CA2CA7
SCHEMBL16628062 0.89 RAF1 (0.76) RAF1CA7CA9CDK8KDR
SCHEMBL1790568 0.85 NAMPT (0.65) NAMPTCA1CA2CA7CA9
SCHEMBL13648230 0.85 RAF1 (0.66) RAF1CA7CA9CDK8KDR
SCHEMBL1790385 0.85 CA7 (0.61) RAF1NAMPTCA1CA2CA7
SCHEMBL5636169 0.85 RAF1 (0.65) RAF1CA7CA9CDK8KDR
SCHEMBL6031038 0.85 RAF1 (0.67) RAF1CA7CA9CDK8KDR
SCHEMBL101750 0.84 RET (0.57) RAF1NAMPTCA1CA2CA7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20060199844-A1 Methylene urea derivatives MERCK PATENT GMBH (DE) 2006-09-07 US disclosed
EP-1562905-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004037789-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-05-06 WO 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 (3 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAF1 2/4885NAMPT 1163/4885CA1 3992/4885
US-20060199844-A1 Methylene urea derivatives BRAF, RAF1, CMPK1 RAF1 2/4885NAMPT 1163/4885CA1 3992/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885NAMPT 1163/4885CA1 3992/4885

“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.