SCHEMBL1494628

SCHEMBL1494628

COC(=O)N[C@@H](C)CNc1ccnc(-c2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2Br)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.49
TRPV3 Q8NET8 3/20 0.38
PDE2A O00408 2/20 0.36
SYK P43405 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1494626 1.00 BRAF (0.49) BRAFTRPV3PDE2ASYKCYP1A2
SCHEMBL12848286 0.88 BRAF (0.43) BRAFPDE2A
SCHEMBL6524714 0.84 TRPV3 (0.38) BRAFTRPV3
SCHEMBL6524709 0.84 TRPV3 (0.38) BRAFTRPV3
SCHEMBL6526459 0.81 BRAF (0.52) BRAF
SCHEMBL6526457 0.81 BRAF (0.52) BRAF
SCHEMBL67798 0.76 BRAF (0.54) BRAFSYK
SCHEMBL67797 0.76 BRAF (0.54) BRAFSYK
SCHEMBL6521526 0.69 CCNE2 (0.33) BRAFTRPV3SYK
SCHEMBL68092 0.69 BRAF (0.64) 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 16 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
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
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-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-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-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-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 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 2/4885TRPV3 4053/4885PDE2A 1817/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885TRPV3 4053/4885PDE2A 1817/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF BRAF 2/4885TRPV3 4053/4885PDE2A 1817/4885

“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.