SCHEMBL2759632

SCHEMBL2759632

CCc1cccc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.68
PRMT6 Q96LA8 1/20 0.68
CYP2A6 P11509 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
MEN1 O00255 1/20 0.55
PSIP1 O75475 1/20 0.55
AXL P30530 1/20 0.55
DHFR P00374 1/20 0.52
BACE1 P56817 2/20 0.51
CYP19A1 P11511 4/20 0.50
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
IDO1 P14902 1/20 0.50
NISCH Q9Y2I1 1/20 0.49
CYP17A1 P05093 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL12129552 0.91 EPHX2 (0.61) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4
SCHEMBL21442882 0.87 CYP2A6 (0.58) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4
SCHEMBL4468765 0.86 EPHX2 (0.64) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4
SCHEMBL16118323 0.85 CYP2A6 (0.56) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4
SCHEMBL8241482 0.83 IDO1 (0.51) EPHX2PRMT6CYP2A6DHFRBACE1
SCHEMBL29489424 0.82 BCL2 (0.62) EPHX2PRMT6CYP2A6CYP1A2IDO1
SCHEMBL5547358 0.82 BCL2 (0.62) EPHX2PRMT6CYP2A6CYP1A2IDO1
SCHEMBL2025453 0.81 EPHX2 (0.63) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4
SCHEMBL4581739 0.81 MKNK1 (0.68) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4
SCHEMBL3780918 0.81 CYP2A6 (0.73) EPHX2PRMT6CYP2A6ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-11180492-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-11-23 US disclosed
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 US disclosed
EP-3377060-B1 PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF LUNDBECK LA JOLLA RESEARCH CENTER INC (US) 2020-08-19 EP disclosed
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-07 US disclosed
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-17 US disclosed
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO disclosed
US-20100270915-A1 Beta-Diketone Ancillary Ligands and Their Metal Complexes Used in Organic Optoelectronic Devices NATIONAL TSING HUA UNIVERSITY (TW) 2010-10-28 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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-11180492-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 EPHX2 1393/4885PRMT6 868/4885CYP2A6 1053/4885
US-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 EPHX2 2275/4885PRMT6 2466/4885CYP2A6 134/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 EPHX2 4017/4885PRMT6 3609/4885CYP2A6 4418/4885
US-10702527-B2 Combination therapy of transcription inhibitors and kinase inhibitors CHUK, BCOR, MYC EPHX2 4282/4885PRMT6 915/4885CYP2A6 4636/4885
US-20100270915-A1 Beta-Diketone Ancillary Ligands and Their Metal Complexes Used in Organic Optoelectronic Devices PBK, DEK, OSTC EPHX2 3959/4885PRMT6 4198/4885CYP2A6 3797/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC EPHX2 4282/4885PRMT6 915/4885CYP2A6 4636/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 EPHX2 3444/4885PRMT6 975/4885CYP2A6 4390/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 EPHX2 2533/4885PRMT6 2405/4885CYP2A6 118/4885
US-20190015411-A9 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC EPHX2 4282/4885PRMT6 915/4885CYP2A6 4636/4885
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MPO, GOT2, GOT1 EPHX2 1393/4885PRMT6 868/4885CYP2A6 1053/4885
US-20200338074-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC EPHX2 4282/4885PRMT6 915/4885CYP2A6 4636/4885

“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.