SCHEMBL13748951

SCHEMBL13748951

COc1ccc(Cl)c(C(C)C)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.45
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
ALDH1A1 P00352 6/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
G6PD P11413 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 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
SCHEMBL13748259 0.80 HTR2A (0.39) GLP1RHTR2AHTR2CHTR2BALDH1A1
SCHEMBL13748225 0.80 HTR2A (0.39) GLP1RHTR2AHTR2CHTR2BALDH1A1
SCHEMBL19365963 0.78 ALDH1A1 (0.39) GLP1RHTR2AHTR2CHTR2BALDH1A1
SCHEMBL19425821 0.78 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1NPSR1KDM4E
SCHEMBL12985509 0.77 CYP3A4 (0.38) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL16132832 0.76 HTR2A (0.42) GLP1RHTR2AHTR2CHTR2BALDH1A1
SCHEMBL13748804 0.76 NPC1 (0.40) ALDH1A1LMNAMAPTMAPK1KDM4E
SCHEMBL5783110 0.76 ALDH1A1 (0.43) GLP1RALDH1A1KDM4EPOLBCYP2C19
SCHEMBL14550204 0.76 GAA (0.40) GLP1RHTR2AALDH1A1G6PDPOLB
SCHEMBL12985782 0.75 KDM4E (0.46) ALDH1A1LMNAMAPTMAPK1KDM4E

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
US-20220169631-A9 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-02 US disclosed
US-20210292299-A1 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-09-23 US disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 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
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION, A DELAWARE CORPORATION 2009-08-06 US 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 (6 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 GLP1R 3533/4885HTR2A 3849/4885HTR2C 3835/4885
US-20220169631-A9 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF CDK14, CDK16, CDK19 GLP1R 598/4885HTR2A 4760/4885HTR2C 4434/4885
US-20210292299-A1 TAIRE FAMILY KINASE INHIBITORS AND USES THEREOF CDK14, CDK16, CDK19 GLP1R 598/4885HTR2A 4760/4885HTR2C 4434/4885
US-20090197869-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GLP1R 3533/4885HTR2A 3849/4885HTR2C 3835/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GLP1R 3533/4885HTR2A 3849/4885HTR2C 3835/4885
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES JAK1, JAK3, JAK2 GLP1R 3533/4885HTR2A 3849/4885HTR2C 3835/4885

“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.