SCHEMBL104548

SCHEMBL104548

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA7 P43166 2/20 0.63
CA9 Q16790 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
RAF1 P04049 6/20 0.59
KDR P35968 6/20 0.59
HDAC3 O15379 5/20 0.58
HDAC4 P56524 5/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC7 Q8WUI4 5/20 0.58
HDAC2 Q92769 5/20 0.58
HDAC10 Q969S8 5/20 0.58
HDAC11 Q96DB2 5/20 0.58
HDAC8 Q9BY41 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC9 Q9UKV0 5/20 0.58
HDAC5 Q9UQL6 5/20 0.58
PDGFRB P09619 3/20 0.57
CDK8 P49336 2/20 0.57
BRAF P15056 2/20 0.57

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
SCHEMBL101750 0.90 RET (0.57) CA7CA9CA1CA2RAF1
SCHEMBL101332 0.89 RAF1 (0.63) CA7CA9CA1CA2RAF1
SCHEMBL16990673 0.88 NAMPT (0.61) KDRCDK8BRAFABL1SRC
SCHEMBL1790420 0.88 CA1 (0.67) CA7CA9CA1CA2KDR
SCHEMBL30462521 0.88 RAF1 (0.73) CA7CA9RAF1KDRPDGFRB
SCHEMBL936533 0.88 RAF1 (0.73) CA7CA9RAF1KDRPDGFRB
SCHEMBL1790385 0.88 CA7 (0.61) CA7CA9CA1CA2RAF1
SCHEMBL13603512 0.88 RAF1 (0.68) CA7CA9RAF1KDRHDAC3
SCHEMBL16990727 0.88 RAF1 (0.60) CA7CA9CA1CA2RAF1
SCHEMBL15574278 0.87 RAB9A (0.62) GSK3BAURKADYRK3RPS6KB1MAPK1

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 CA7 3518/4885CA9 3197/4885CA1 3992/4885
US-20060199844-A1 Methylene urea derivatives BRAF, RAF1, CMPK1 CA7 3518/4885CA9 3197/4885CA1 3992/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 CA7 3518/4885CA9 3197/4885CA1 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.