SCHEMBL8045852

SCHEMBL8045852

Cc1n[nH]c2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
HTR2A P28223 1/20 0.45
KIF11 P52732 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ACHE P22303 1/20 0.44
FADS1 O60427 1/20 0.44
METAP2 P50579 1/20 0.43
MAP2K4 P45985 1/20 0.43
CHUK O15111 1/20 0.43
CYP1A2 P05177 1/20 0.43
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
NTRK1 P04629 1/20 0.42
LRRK2 Q5S007 1/20 0.41
DRD4 P21917 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 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
SCHEMBL8212257 0.84 MAP2K4 (0.56) ITKADORA2AADORA2BHTR2AMAP2K4
SCHEMBL14095607 0.79 ITK (0.49) ITKHTR2AKIF11KEAP1NFE2L2
SCHEMBL29769133 0.79 MAP2K4 (0.57) ITKADORA2AADORA2BACHEFADS1
SCHEMBL12222 0.79 MAP2K4 (0.57) ITKADORA2AADORA2BACHEFADS1
SCHEMBL785649 0.78 JAK2 (0.60) ITKHTR2AFADS1METAP2MAP2K4
SCHEMBL13122412 0.77 LRRK2 (0.53) ITKMAP2K4NTRK1LRRK2
SCHEMBL25475378 0.76 FADS1 (0.51) ITKHTR2AKIF11KEAP1NFE2L2
SCHEMBL1553551 0.76 ITK (0.46) ITKHTR2AKIF11KEAP1NFE2L2
SCHEMBL29468189 0.76 ITK (0.46) ITKHTR2AKIF11KEAP1NFE2L2
SCHEMBL26373678 0.76 ITK (0.46) ITKHTR2AKIF11KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947690-B Preparation method of indazole molecular building block and application of indazole molecular building block in drug synthesis 安徽医科大学 2025-04-08 CN disclosed
WO-2024184520-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 WO disclosed
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-10-05 US disclosed
US-20230146829-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIV TENNESSEE RES FOUND (US) 2023-05-11 US disclosed
US-20230146829-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF UNIV TENNESSEE RES FOUND (US) 2023-05-11 US disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
CN-115947690-A Preparation method of indazole molecular building block and application of building block in drug synthesis 安徽医科大学 2023-04-11 CN disclosed
EP-4036094-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE The Trustees of Columbia University in the City of New York (US) 2022-08-03 EP disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 WO disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 US disclosed
US-20120319097-A1 ELECTRODE TREATMENT PROCESS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-20 US disclosed
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
US-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 US disclosed
WO-2009042092-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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 (8 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 ITK 3710/4885ADORA2A 612/4885ADORA2B 813/4885
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ITK 3836/4885ADORA2A 218/4885ADORA2B 443/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG ITK 4502/4885ADORA2A 1642/4885ADORA2B 1130/4885
US-20230312585-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 ITK 3781/4885ADORA2A 1023/4885ADORA2B 334/4885
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 ITK 3432/4885ADORA2A 2320/4885ADORA2B 3341/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ITK 3836/4885ADORA2A 218/4885ADORA2B 443/4885
US-20230146829-A1 SELECTIVE ANDROGEN RECEPTOR DEGRADER (SARD) LIGANDS AND METHODS OF USE THEREOF AR, BRCA1, FSHR ITK 4233/4885ADORA2A 928/4885ADORA2B 1454/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 ITK 631/4885ADORA2A 3466/4885ADORA2B 3798/4885

“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.