SCHEMBL523615

SCHEMBL523615

COc1ccc(C#N)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.49
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 2/20 0.41
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
SLC6A4 P31645 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
TSHR P16473 1/20 0.40
BRD1 O95696 1/20 0.40
BRPF1 P55201 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
BRPF3 Q9ULD4 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
GUSB P08236 1/20 0.39

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
SCHEMBL20855659 0.86 AR (0.46) ARKDM1AALDH1A1KDM4EUSP2
SCHEMBL20855587 0.86 AR (0.46) ARKDM1AALDH1A1KDM4EUSP2
SCHEMBL20855662 0.86 AR (0.46) ARKDM1AALDH1A1KDM4EUSP2
SCHEMBL20855762 0.86 AR (0.46) ARKDM1AALDH1A1KDM4EUSP2
SCHEMBL20855761 0.86 AR (0.46) ARKDM1AALDH1A1KDM4EUSP2
SCHEMBL16955918 0.86 AR (0.46) ARKDM1AALDH1A1KDM4EUSP2
SCHEMBL104318 0.85 AR (0.49) ARKDM1AALDH1A1IMPDH2IMPDH1
SCHEMBL17731549 0.84 AR (0.47) ARKDM1AALDH1A1IMPDH2IMPDH1
SCHEMBL17731548 0.84 AR (0.47) ARKDM1AALDH1A1IMPDH2IMPDH1
SCHEMBL18923587 0.83 AR (0.44) ARKDM1ASLC6A4MEN1KMT2A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2021-06-17 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-06-21 US disclosed
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2018-06-21 US disclosed
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-9920054-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2018-03-20 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 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 (11 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-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AR 3101/4885KDM1A 209/4885ALDH1A1 3705/4885
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 AR 1970/4885KDM1A 1326/4885ALDH1A1 1375/4885
US-20210179592-A1 3-((HETERO-)ARYL)-ALKYL-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES OPRK1, OPRD1, ARRB1 AR 160/4885KDM1A 2912/4885ALDH1A1 398/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 AR 1970/4885KDM1A 1326/4885ALDH1A1 1375/4885
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 AR 805/4885KDM1A 3516/4885ALDH1A1 1077/4885
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof RORC, RORB, RORA AR 1353/4885KDM1A 1265/4885ALDH1A1 1091/4885
US-20180170928-A1 Methyl- and Trifluoromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof RORC, RORB, RORA AR 1606/4885KDM1A 906/4885ALDH1A1 715/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 AR 1583/4885KDM1A 2986/4885ALDH1A1 4067/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 AR 2943/4885KDM1A 4496/4885ALDH1A1 4542/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 AR 3101/4885KDM1A 209/4885ALDH1A1 3705/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 AR 3101/4885KDM1A 209/4885ALDH1A1 3705/4885

“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.