SCHEMBL6519811

SCHEMBL6519811

C[C@H](N)CNc1nccc(-c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2Br)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.45
KIT P10721 2/20 0.40
MAPK14 Q16539 5/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
MAPK11 Q15759 4/20 0.38
RAF1 P04049 3/20 0.38
MAPK9 P45984 3/20 0.38
TRPV3 Q8NET8 4/20 0.36
CDK2 P24941 1/20 0.35
CDC7 O00311 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL6519820 1.00 BRAF (0.45) BRAFKITMAPK14MAPK13MAPK12
SCHEMBL6524709 0.82 TRPV3 (0.38) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6524714 0.82 TRPV3 (0.38) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67798 0.82 BRAF (0.54) BRAF
SCHEMBL67797 0.82 BRAF (0.54) BRAF
SCHEMBL6524726 0.74 BRAF (0.49) BRAF
SCHEMBL6524719 0.74 BRAF (0.49) BRAF
SCHEMBL6522717 0.73 BRAF (0.43) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6522934 0.73 BRAF (0.43) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL6525129 0.73 BRAF (0.46) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 US disclosed
EP-2470528-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2014-10-01 EP disclosed
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS AG (CH) 2014-01-09 US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 US 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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885KIT 914/4885MAPK14 344/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885KIT 914/4885MAPK14 344/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885KIT 914/4885MAPK14 344/4885

“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.