SCHEMBL2446017

SCHEMBL2446017

O=[C]c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.53
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
GPR3 P46089 2/20 0.48
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47

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
SCHEMBL3062795 0.81 KIF11 (0.53) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL6005278 0.81 KIF11 (0.53) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL21987846 0.81 KIF11 (0.53) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL3483748 0.81 KIF11 (0.53) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL9714208 0.81 DYRK1A (0.54) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL30355317 0.81 DYRK1A (0.54) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL9576581 0.78 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3GABRP
Biphenyl SCHEMBL27636641 0.77 CYP19A1 (0.53) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL11484516 0.75 KIF11 (0.47) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL27676787 0.74 KIF11 (0.50) KIF11ALDH1A1HSD17B10GPR3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108555-A Three ring atropisomer compounds 百时美施贵宝公司 2017-08-29 CN claimed
CN-107074804-A Carbazole derivates 百时美施贵宝公司 2017-08-18 CN claimed
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed
US-11999720-B2 Pyrazolylacylpyrazoline compounds and method for treating pain THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-06-04 US disclosed
US-20240173417-A1 LUTEINIZING HORMONE-RELEASING HORMONE RECEPTOR (LHRH-R) CONJUGATES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2024-05-30 US disclosed
WO-2024102986-A2 SARS-COV-2 MPRO INHIBITORS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2024-05-16 WO disclosed
WO-2024102989-A1 NON-PEPTIDIC SARS-COV-2 MAIN PROTEASE INHIBITORS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2024-05-16 WO disclosed
US-11981684-B2 Macrocyclic compounds and uses thereof Turning Point Therapeutics, Inc. (US) 2024-05-14 US disclosed
EP-3554526-B1 LUTEINIZING HORMONE-RELEASING HORMONE RECEPTOR (LHRH-R) CONJUGATES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2024-05-08 EP disclosed
US-11939337-B2 1,5-disubstituted 1,2,3-triazoles are inhibitors of Rac/CDC42 GTPases UNIVERSITY OF PUERTO RICO (US) 2024-03-26 US disclosed
US-11925696-B2 Carbonic anhydrase IX targeting agents and methods PURDUE RESEARCH FOUNDATION (US) 2024-03-12 US disclosed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
EP-0663924-B1 17-BETA-CARBOXANILIDES OF 4-AZA-5-ALPHA-ANDROSTAN-3-ONES AS 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO INC (US) 2001-02-14 EP disclosed
US-5693810-A ENZYME INHIBITORS OF TESTOSTERONE-5ALPHA-REDUCTASE TO PREVENT OR LESSEN SYMPTOMS OF DIHYDROTESTOSTERONE-RELATED HYPERANDROGENIC CONDITIONS, E.G. PROSTATE PROBLEMS, SKIN DISORDERS MERCK & CO., INC. (US) 1997-12-02 US disclosed
EP-0663924-A4 17-g(b)-CARBOXANILIDES OF 4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-10-04 EP disclosed
EP-0663924-A1 17$g(b)-CARBOXANILIDES OF 4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-07-26 EP disclosed
WO-1994007861-A1 17β-CARBOXANILIDES OF 4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1994-04-14 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-11939337-B2 1,5-disubstituted 1,2,3-triazoles are inhibitors of Rac/CDC42 GTPases CDC42, TNK2, RAC1 KIF11 2655/4885ALDH1A1 3342/4885HSD17B10 3295/4885
US-11925696-B2 Carbonic anhydrase IX targeting agents and methods CA9, CA13, CA12 KIF11 3838/4885ALDH1A1 1908/4885HSD17B10 2737/4885
US-20240173417-A1 LUTEINIZING HORMONE-RELEASING HORMONE RECEPTOR (LHRH-R) CONJUGATES AND USES THEREOF GNRHR, LHCGR, GHRHR KIF11 1173/4885ALDH1A1 3003/4885HSD17B10 1209/4885
US-11981684-B2 Macrocyclic compounds and uses thereof CSF3R, CSF1R, FLT3 KIF11 1865/4885ALDH1A1 4474/4885HSD17B10 4579/4885
US-11999720-B2 Pyrazolylacylpyrazoline compounds and method for treating pain ACHE, TRPV1, GRIK3 KIF11 1211/4885ALDH1A1 814/4885HSD17B10 2160/4885

“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.