SCHEMBL165378

SCHEMBL165378

CN(C)c1ccc(CN)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
HDAC6 Q9UBN7 1/20 0.38
AOC3 Q16853 3/20 0.37
APP P05067 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ADRB2 P07550 1/20 0.35
RRM2 P31350 1/20 0.35
KDM1A O60341 1/20 0.35
MAP3K11 Q16584 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34

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
SCHEMBL29505870 1.00 KCNH2 (0.40) KCNH2KEAP1NFE2L2LOXL2HDAC6
Hydrochloric Acid SCHEMBL5009851 0.98 KCNH2 (0.39) KCNH2KEAP1NFE2L2LOXL2HDAC6
Hydrochloric Acid SCHEMBL2674519 0.98 KCNH2 (0.39) KCNH2KEAP1NFE2L2LOXL2HDAC6
SCHEMBL10064970 0.84 KEAP1 (0.37) KEAP1NFE2L2LOXL2AOC3HRH3
SCHEMBL3568739 0.84 TAAR1 (0.42) KCNH2LOXL2AOC3
SCHEMBL805514 0.81 KDM4E (0.43) KCNH2HDAC6AOC3APPHRH3
SCHEMBL16274790 0.80 GBA1 (0.56) LOXL2AOC3CACNA1H
SCHEMBL1320581 0.80 HRH3 (0.47) KCNH2KEAP1NFE2L2LOXL2AOC3
Hydrochloric Acid SCHEMBL31473370 0.80 KEAP1 (0.38) KEAP1NFE2L2LOXL2AOC3RRM2
SCHEMBL1569638 0.79 HDAC6 (0.40) KCNH2HDAC6AOC3APPKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-3364967-B1 FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2026-05-20 EP disclosed
EP-3365339-B1 NOVEL FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2025-07-16 EP disclosed
US-20220363675-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2022-11-17 US disclosed
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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 (7 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S KCNH2 3161/4885KEAP1 640/4885NFE2L2 1136/4885
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP KCNH2 2476/4885KEAP1 1497/4885NFE2L2 2071/4885
US-11279687-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNT, NQO1 KCNH2 2545/4885KEAP1 576/4885NFE2L2 1684/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H KCNH2 2974/4885KEAP1 545/4885NFE2L2 1463/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL KCNH2 1272/4885KEAP1 1368/4885NFE2L2 3887/4885
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH KCNH2 2224/4885KEAP1 70/4885NFE2L2 292/4885
US-20220363675-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 KCNH2 4249/4885KEAP1 44/4885NFE2L2 5/4885

“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.