SCHEMBL10201441

SCHEMBL10201441

CC(C)(C)c1cnc(N)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 9/20 0.42
PIK3CA P42336 7/20 0.39
MTOR P42345 1/20 0.38
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TNF P01375 1/20 0.35
CYP3A4 P08684 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
SCHEMBL3643010 0.86 ALDH1A1 (0.43) MAP3K12PIK3CAMTORALOX5APFEN1
SCHEMBL17547699 0.86 HSP90AA1 (0.42) ALOX5APHSP90AA1
SCHEMBL20458857 0.82 MAP3K12 (0.39) MAP3K12PIK3CAMTORALOX5APFEN1
SCHEMBL16852159 0.78 AGBL2 (0.34) HSP90AA1
SCHEMBL19628512 0.78 POLB (0.33) HSP90AA1
SCHEMBL19370437 0.77 PIK3CD (0.46) CYP3A4
SCHEMBL10197339 0.77 HSP90AA1 (0.36) HSP90AA1
SCHEMBL11890838 0.76 NOS3 (0.54) MAP3K12PIK3CAMTOR
SCHEMBL5560254 0.76 ALOX5AP (0.46) ALOX5APFEN1HSP90AA1
SCHEMBL21590041 0.75 KMT2A (0.42) ALOX5APHSP90AA1

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
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS LLC (US) 2022-07-07 US disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-20160340314-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2016-11-24 US disclosed
US-9440951-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2016-09-13 US disclosed
US-20150239865-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-08-27 US disclosed
US-9067887-B2 Quinolone compound OTSUKA PHARMACEUTICAL CO., LTD (JP) 2015-06-30 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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 (14 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 MAP3K12 1964/4885PIK3CA 1113/4885MTOR 3231/4885
US-20150239865-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAP3K12 2848/4885PIK3CA 1889/4885MTOR 4375/4885
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 MAP3K12 154/4885PIK3CA 126/4885MTOR 470/4885
US-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAP3K12 2848/4885PIK3CA 1889/4885MTOR 4375/4885
US-20160340314-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAP3K12 2848/4885PIK3CA 1889/4885MTOR 4375/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 MAP3K12 21/4885PIK3CA 2/4885MTOR 1/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 MAP3K12 190/4885PIK3CA 8/4885MTOR 28/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 MAP3K12 190/4885PIK3CA 8/4885MTOR 28/4885
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 MAP3K12 190/4885PIK3CA 8/4885MTOR 28/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA MAP3K12 62/4885PIK3CA 2/4885MTOR 1/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP MAP3K12 2750/4885PIK3CA 1999/4885MTOR 4421/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAP3K12 2801/4885PIK3CA 1909/4885MTOR 4370/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MAP3K12 2848/4885PIK3CA 1889/4885MTOR 4375/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 MAP3K12 2892/4885PIK3CA 1963/4885MTOR 4304/4885

“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.