SCHEMBL12157652

SCHEMBL12157652

COc1nnc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.38
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.34
POLQ O75417 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
UHRF1 Q96T88 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4278709 0.78 RECQL (0.50) CYP1A2CYP2C19ALDH1A1RECQLPOLB
SCHEMBL24226816 0.78 ALDH1A1 (0.39) CYP1A2CYP2C19ALDH1A1TSHRMAPT
SCHEMBL29770615 0.76 ALDH1A1 (0.38) CYP1A2CYP2C19ALDH1A1RECQLPOLB
SCHEMBL16466177 0.76 RECQL (0.40) CYP1A2CYP2C19ALDH1A1RECQLPOLB
SCHEMBL16387120 0.76 ALDH1A1 (0.38) CYP1A2CYP2C19ALDH1A1RECQLPOLB
SCHEMBL13351317 0.76 MAPT (0.39) CYP1A2CYP2C19ALDH1A1POLBTSHR
SCHEMBL19789223 0.76 ALDH1A1 (0.38) CYP1A2CYP2C19ALDH1A1POLQ
SCHEMBL25477654 0.73 ALDH1A1 (0.35) CYP1A2CYP2C19ALDH1A1POLQ
SCHEMBL17813862 0.73 CA2 (0.36) CYP1A2CYP2C19ALDH1A1POLBTSHR
SCHEMBL17813866 0.73 ALDH1A1 (0.35) CYP1A2CYP2C19ALDH1A1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-8815926-B2 Substituted pyrrolo[3,4-D]imidazoles for the treatment of MDM2/4 mediated diseases NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20140011798-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-01-09 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
EP-2386558-A1 CGRP antagonists Boehringer Ingelheim International GmbH (DE) 2011-11-16 EP disclosed
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2011-05-05 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 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 (5 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA CYP1A2 1748/4885CYP2C19 1336/4885ALDH1A1 1292/4885
US-20140011798-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 CYP1A2 2781/4885CYP2C19 2949/4885ALDH1A1 2047/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA CYP1A2 1748/4885CYP2C19 1336/4885ALDH1A1 1292/4885
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 CYP1A2 2781/4885CYP2C19 2949/4885ALDH1A1 2047/4885
US-20110105501-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, GSK3A CYP1A2 995/4885CYP2C19 900/4885ALDH1A1 3574/4885

“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.