SCHEMBL12985013

SCHEMBL12985013

CC(C)(C)OC(=O)N1CCC[C@H](n2cnc3cnc(Br)cc32)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.50
FPR2 P25090 1/20 0.42
HPGDS O60760 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
SRC P12931 5/20 0.39
EGFR P00533 3/20 0.39
USP30 Q70CQ3 2/20 0.39
MAPT P10636 1/20 0.38
ABL1 P00519 2/20 0.38
ABL2 P42684 2/20 0.38
PIK3CD O00329 1/20 0.38
SCN9A Q15858 1/20 0.38
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL2731216 1.00 HCAR1 (0.50) HCAR1FPR2HPGDSJAK2JAK1
SCHEMBL12984856 1.00 HCAR1 (0.50) HCAR1FPR2HPGDSJAK2JAK1
SCHEMBL12984848 0.89 HCAR1 (0.52) HCAR1MEN1ALDH1A1KMT2AHPGD
SCHEMBL25420861 0.86 HCAR1 (0.55) HCAR1FPR2HPGDSJAK2JAK1
SCHEMBL1397038 0.84 GAA (0.43) JAK2JAK1MEN1ALDH1A1KMT2A
SCHEMBL16895521 0.84 HCAR1 (0.52) HCAR1FPR2HPGDSJAK2JAK1
SCHEMBL25421014 0.83 HCAR1 (0.52) HCAR1FPR2JAK2JAK1MEN1
SCHEMBL12984977 0.82 FEN1 (0.43) HCAR1SCN9A
SCHEMBL16895921 0.82 HCAR1 (0.52) HCAR1FPR2HPGDSJAK2JAK1
SCHEMBL10183166 0.81 HCAR1 (0.47) HCAR1SRCEGFRUSP30ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US 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 HCAR1 2537/4885FPR2 4578/4885HPGDS 4213/4885

“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.