SCHEMBL5496330

SCHEMBL5496330

CC(C)(CNc1ncc2cc(Br)ccc2n1)NC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
HCRTR1 O43613 1/20 0.40
BRAF P15056 3/20 0.37
ACACB O00763 1/20 0.36
AR P10275 1/20 0.36
FDPS P14324 1/20 0.36
MAPK8 P45983 3/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
ROCK2 O75116 1/20 0.35
MCHR1 Q99705 2/20 0.35
ADRA2A P08913 1/20 0.35
NPY5R Q15761 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PIK3CA P42336 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 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
SCHEMBL5492593 0.82 MAPT (0.41) MAPTHCRTR1BRAFACACBAR
SCHEMBL21864813 0.82 MAPT (0.46) MAPTBRAFACACBARROCK2
SCHEMBL30216052 0.82 MAPT (0.46) MAPTBRAFACACBARROCK2
SCHEMBL5494492 0.74 BRD4 (0.39) HCRTR1BRAFFDPSROCK2MCHR1
SCHEMBL5498345 0.73 LATS1 (0.44) BRAFACACBROCK2
SCHEMBL24457821 0.72 PIK3CA (0.53) BRAFACACBROCK2PIK3CAALDH1A1
SCHEMBL29699292 0.72 PIK3CA (0.53) BRAFACACBROCK2PIK3CAALDH1A1
SCHEMBL5497038 0.71 ACACB (0.35) HCRTR1BRAFACACBROCK2MCHR1
SCHEMBL14724691 0.70 KMT2A (0.44) CRHBPCRHR2RXFP1
SCHEMBL5492795 0.70 KMT2A (0.56) MAPTBRAFFDPSCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (1 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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 MAPT 4333/4885HCRTR1 2841/4885BRAF 100/4885

“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.