SCHEMBL1397013

SCHEMBL1397013

O=C(O)N1CCC(n2cnc3cnc(Br)cc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.40
JAK1 P23458 6/20 0.40
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 4/20 0.37
NPC1 O15118 1/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL1397038 0.86 GAA (0.43) GAAHSD17B10USP2JAK1ALDH1A1
SCHEMBL12984848 0.83 HCAR1 (0.52) GAAUSP2ALDH1A1KMT2AHPGD
SCHEMBL1396944 0.79 GABRG2 (0.46)
SCHEMBL1870574 0.77 DDB1 (0.50) GAAHSD17B10USP2ALDH1A1KMT2A
SCHEMBL1834469 0.76 USP2 (0.63) GAAHSD17B10USP2JAK1ALDH1A1
SCHEMBL1868756 0.75 GAA (0.52) GAAHSD17B10USP2ALDH1A1KMT2A
SCHEMBL12075901 0.73 FGFR1 (0.48) GAAHSD17B10USP2ALDH1A1KMT2A
SCHEMBL12075903 0.73 FGFR1 (0.48) GAAHSD17B10USP2ALDH1A1KMT2A
SCHEMBL12985013 0.73 HCAR1 (0.50) GAAJAK1ALDH1A1KMT2AHPGD
SCHEMBL2731216 0.73 HCAR1 (0.50) GAAJAK1ALDH1A1KMT2AHPGD

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-2288601-B1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-10-15 EP disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
EP-2288601-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2011-03-02 EP disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 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-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B GAA 1262/4885HSD17B10 2434/4885USP2 2576/4885

“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.