SCHEMBL9906384

SCHEMBL9906384

COC(=O)c1cncc(C(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.61
ALDH1A1 P00352 3/20 0.47
CYP2A6 P11509 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
XDH P47989 2/20 0.40
POLB P06746 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL7826113 0.88 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL6918589 0.86 ATM (0.57) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL29081849 0.86 ATM (0.57) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL22774623 0.84 ATM (0.59) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL26999654 0.83 ATM (0.54) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL29680123 0.83 ATM (0.57) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL29080075 0.83 ATM (0.57) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL56951 0.82 ATM (0.77) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL13547445 0.81 CYP2C19 (0.64) ATMALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL19321636 0.81 MEN1 (0.43) ATMALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-20210371898-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY CLEU DIAGNOSTICS, LLC 2021-12-02 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-8466288-B2 Isoindolinone inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-18 US disclosed
US-20120220767-A1 AMINOTHIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-8198308-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20110059938-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20100240657-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
WO-2009003998-A2 ANTIPROLIFERATIVE COMPOUNDS BASED ON 5-MEMBERED HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-08 WO disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 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-20120220767-A1 AMINOTHIAZOLE DERIVATIVE AKT3, AKT2, JAK1 ATM 260/4885ALDH1A1 1711/4885CYP2A6 4473/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ATM 363/4885ALDH1A1 3381/4885CYP2A6 3314/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ATM 234/4885ALDH1A1 4236/4885CYP2A6 2818/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 ATM 3956/4885ALDH1A1 289/4885CYP2A6 122/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 ATM 3956/4885ALDH1A1 289/4885CYP2A6 122/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 ATM 284/4885ALDH1A1 2765/4885CYP2A6 3943/4885
US-20210371898-A1 COMPOSITIONS AND METHODS FOR DETERMINING THE PRESENCE OF ACTIVE LEUKOCYTE CELLS USING AN ELECTROCHEMICAL ASSAY MPO, LPO, EPX ATM 3708/4885ALDH1A1 212/4885CYP2A6 1878/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 ATM 395/4885ALDH1A1 4653/4885CYP2A6 3614/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 ATM 363/4885ALDH1A1 3381/4885CYP2A6 3314/4885
US-20110059938-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ATM 3289/4885ALDH1A1 101/4885CYP2A6 1131/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ATM 234/4885ALDH1A1 4236/4885CYP2A6 2818/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 ATM 3956/4885ALDH1A1 289/4885CYP2A6 122/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ATM 3289/4885ALDH1A1 101/4885CYP2A6 1131/4885
US-20100240657-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ATM 3677/4885ALDH1A1 174/4885CYP2A6 480/4885

“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.