SCHEMBL557222

SCHEMBL557222

O=C(O)N1CCC(CCCl)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
MAPK14 Q16539 1/20 0.36
TACR3 P29371 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
FAAH O00519 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
SCHEMBL27269193 0.88 ITGB3 (0.43) ALDH1A1ITGB3ITGA2BGNAI3GNAO1
SCHEMBL4001046 0.83 ALDH1A1 (0.41) ALDH1A1ITGB3ITGA2BCYP2C9CYP2C19
SCHEMBL17626803 0.81 ITGB3 (0.39) ITGB3ITGA2BCYP2C9CYP2C19HTR2B
SCHEMBL785724 0.81 AKR1C3 (0.43) ITGB3ITGA2BMEN1KMT2AGNAI3
SCHEMBL4599331 0.79 ITGB3 (0.49) ALDH1A1ITGB3ITGA2BMEN1KMT2A
SCHEMBL1710845 0.79 CHRM2 (0.49) ITGB3ITGA2BMEN1KMT2AGNAI3
SCHEMBL12016032 0.79 GNAI3 (0.45) ITGB3ITGA2BCYP2C9MEN1KMT2A
SCHEMBL1898526 0.79 ITGB3 (0.38) ALDH1A1ITGB3ITGA2BMEN1KMT2A
SCHEMBL760154 0.79 ITGB3 (0.38) ALDH1A1ITGB3ITGA2BMEN1KMT2A
SCHEMBL3119356 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AGNAI3GNAO1

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-2419427-B1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LTD (GB) 2016-04-06 EP disclosed
US-8481531-B2 Bicyclic heterocyclyl derivatives as FGFR kinase inhibitors for therapeutic use ASTEX THERAPEUTICS LTD (GB) 2013-07-09 US disclosed
EP-2419427-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE Astex Therapeutics Ltd. (GB) 2012-02-22 EP disclosed
US-20120035171-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LIMITED (GB) 2012-02-09 US disclosed
WO-2010119284-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE ASTEX THERAPEUTICS LIMITED (GB) 2010-10-21 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-20120035171-A1 BICYCLIC HETEROCYCLYL DERIVATIVES AS FGFR KINASE INHIBITORS FOR THERAPEUTIC USE FGFR1, FGFR2, FGFR3 ALDH1A1 902/4885ITGB3 3231/4885ITGA2B 3438/4885

“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.