SCHEMBL5571965

SCHEMBL5571965

CCC(C)(CC)c1cc(NC(=O)Nc2cccc(Sc3ccncc3)c2)on1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.53
RAF1 P04049 8/20 0.53
MAPK14 Q16539 7/20 0.46
MAPK13 O15264 1/20 0.42
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL668592 0.92 MAPK14 (0.55) BRAFRAF1MAPK14MAPK13PKM
SCHEMBL5575766 0.90 RAF1 (0.61) BRAFRAF1MAPK14MAPK13PKM
SCHEMBL5576199 0.82 RAF1 (0.58) RAF1MAPK14MAPK13ALDH1A1
SCHEMBL668121 0.81 MAPK14 (0.51) BRAFRAF1MAPK14PKMKMT2A
SCHEMBL667588 0.79 RAF1 (0.72) RAF1MAPK14MAPK13ALDH1A1
SCHEMBL668557 0.79 RAF1 (0.60) RAF1MAPK14MAPK13KMT2ASMN1; SMN2
SCHEMBL667449 0.78 RAF1 (0.80) BRAFRAF1MAPK14MAPK13
SCHEMBL668089 0.76 MEN1 (0.63) BRAFRAF1MAPK14KMT2A
SCHEMBL937126 0.74 MAPK14 (0.49) BRAFRAF1MAPK14ALDH1A1
SCHEMBL5575736 0.73 RAF1 (0.45) BRAFRAF1MAPK14MAPK13ALDH1A1

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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US claimed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP claimed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
EP-1047418-B1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2005-07-27 EP disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 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 (2 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885MAPK14 127/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885MAPK14 127/4885

“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.