SCHEMBL2370243

SCHEMBL2370243

NC(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
CASP3 P42574 2/20 0.53
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.49
ANPEP P15144 1/20 0.47
LTA4H P09960 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL1529483 1.00 EPHX1 (0.53) EPHX1CASP3TDP1ALDH1A1L3MBTL1
SCHEMBL1529481 1.00 EPHX1 (0.53) EPHX1CASP3TDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4783273 0.98 EPHX1 (0.52) EPHX1CASP3TDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL4778820 0.98 EPHX1 (0.52) EPHX1CASP3TDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1529614 0.98 EPHX1 (0.52) EPHX1CASP3TDP1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL29574342 0.98 EPHX1 (0.52) EPHX1CASP3TDP1ALDH1A1L3MBTL1
SCHEMBL2617224 0.91 CASP3 (0.44) EPHX1CASP3TDP1ALDH1A1L3MBTL1
SCHEMBL4615363 0.87 SMN1; SMN2 (0.48) EPHX1CASP3TDP1ALDH1A1L3MBTL1
SCHEMBL13919599 0.87 POLB (0.54) ALDH1A1L3MBTL1MAPK1POLBGAA
SCHEMBL1529725 0.87 CASP3 (0.57) CASP3ALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
CN-107709301-A Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2018-02-16 CN disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 EP disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
EP-2900666-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Ignyta, Inc. (US) 2015-08-05 EP disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 US disclosed
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2014-10-16 US disclosed
EP-2542537-B1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE PHENEX PHARMACEUTICALS AG (DE) 2014-05-21 EP disclosed
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-24 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 US disclosed
EP-2542537-A1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE Phenex Pharmaceuticals AG (DE) 2013-01-09 EP disclosed
EP-2368886-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (ROR gamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune desease Phenex Pharmaceuticals AG (DE) 2011-09-28 EP disclosed
EP-2368886-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (ROR gamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune desease Phenex Pharmaceuticals AG (DE) 2011-09-28 EP disclosed
WO-2011107248-A1 NOVEL COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORγ GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASE PHENEX PHARMACEUTICALS AG (DE) 2011-09-09 WO disclosed
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith D SIDOCKY NEIL R 2008-10-02 US disclosed
WO-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 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 (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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA EPHX1 2324/4885CASP3 2515/4885TDP1 4724/4885
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE EPHX1 4118/4885CASP3 2898/4885TDP1 1821/4885
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE EPHX1 4116/4885CASP3 2893/4885TDP1 1720/4885
US-20080242694-A1 Amino-substituted heterocycles, compositions thereof, and methods of treatment therewith JAK2, CHEK2, MTOR EPHX1 1069/4885CASP3 600/4885TDP1 2015/4885
US-20140309225-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, BTK, NOX4 EPHX1 1910/4885CASP3 3860/4885TDP1 1179/4885

“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.