SCHEMBL10694580

SCHEMBL10694580

Cc1ccc(Nc2ccc(C#N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.73
CYP2A6 P11509 1/20 0.73
GSK3B P49841 2/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
CSNK1G2 P78368 1/20 0.54
HPGD P15428 1/20 0.54
DHODH Q02127 2/20 0.50
MAPKAPK2 P49137 1/20 0.50
GAA P10253 2/20 0.47
GSK3A P49840 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
G6PD P11413 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC2A1 P11166 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
LOXL2 Q9Y4K0 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
SCHEMBL395539 0.88 CA2 (0.52) ALDH1A1CYP2A6DHODHKMT2AMEN1
SCHEMBL5612584 0.85 ALDH1A1 (0.52) ALDH1A1CYP2A6GSK3BCSNK1A1CSNK1D
SCHEMBL27329500 0.85 CYP2A6 (1.00) ALDH1A1CYP2A6KMT2ACA1CA2
SCHEMBL46818 0.85
P-Xylene SCHEMBL3926102 0.85 CYP2A6 (1.00) ALDH1A1CYP2A6KMT2ACA1CA2
SCHEMBL28089251 0.83 CYP2A6 (0.94) ALDH1A1CYP2A6KMT2ACA1CA2
Water SCHEMBL8602751 0.83 HPGD (0.74) ALDH1A1HPGDGAAKMT2AMEN1
SCHEMBL25546850 0.81 MMP3 (0.56) GSK3BCSNK1A1CSNK1DCSNK1G2DHODH
Cyanide SCHEMBL6561699 0.80 CYP2A6 (0.89) ALDH1A1CYP2A6KMT2AL3MBTL1CA2
SCHEMBL50079 0.80 HPGD (0.78) ALDH1A1HPGDGAAKMT2AMEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110832657-B Organic light emitting device having high efficiency SFC株式会社 2023-10-24 CN disclosed
US-11532792-B2 Organic light emitting diode having high efficiency SFC CO., LTD. (KR) 2022-12-20 US disclosed
US-20220393110-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, COMPOSITION, POWDER, ELECTRONIC EQUIPMENT, AND NOVEL COMPOUND IDEMITSU KOSAN CO.,LTD. (CN) 2022-12-08 US disclosed
US-20200176695-A1 Organic light-emitting diode with High efficiency and low voltage SFC CO., LTD. (KR) 2020-06-04 US disclosed
EP-3654395-A1 ORGANIC LIGHT EMITTING DIODE HAVING HIGH EFFICIENCY SFC Co., Ltd. (KR) 2020-05-20 EP disclosed
US-20200127209-A1 ORGANIC LIGHT EMITTING DIODE HAVING HIGH EFFICIENCY SFC CO., LTD. (KR) 2020-04-23 US disclosed
US-9882143-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-30 US disclosed
US-20160028015-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 US disclosed
US-9181474-B2 Amine-based compound and organic light-emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-11-10 US disclosed
US-20130200338-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-08-08 US disclosed
US-20130193382-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2013-08-01 US disclosed
WO-2012048780-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-04-19 WO disclosed
US-7541462-B2 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-02 US disclosed
US-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC.. 2008-06-12 US disclosed
US-7385058-B1 Triaminophosphine ligands for carbon-nitrogen and carbon-carbon bond formation IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-06-10 US disclosed
EP-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP 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-20080139806-A1 TRIAMINOPHOSPHINE LIGANDS FOR CARBON-NITROGEN AND CARBON-CARBON BOND FORMATION ABL1, AOC1, NPPA ALDH1A1 3126/4885CYP2A6 2786/4885GSK3B 2536/4885
US-11532792-B2 Organic light emitting diode having high efficiency CYBA, SLC1A2, MAOB ALDH1A1 38/4885CYP2A6 600/4885GSK3B 1383/4885
US-20200127209-A1 ORGANIC LIGHT EMITTING DIODE HAVING HIGH EFFICIENCY CYBA, SLC1A2, MAOB ALDH1A1 38/4885CYP2A6 600/4885GSK3B 1383/4885
US-20160028015-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME MAOB, DRD2, TYR ALDH1A1 125/4885CYP2A6 2385/4885GSK3B 3400/4885
US-20130200338-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE INCLUDING THE SAME MAOB, DRD2, TYR ALDH1A1 125/4885CYP2A6 2385/4885GSK3B 3400/4885

“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.