SCHEMBL11979504

SCHEMBL11979504

Cc1cn(C(C)C)nc1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
CYP1A2 P05177 1/20 0.34
LRRK2 Q5S007 1/20 0.34
AADAT Q8N5Z0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL18898579 0.78 LRRK2 (0.33) LRRK2
SCHEMBL22057944 0.78 ADORA2A (0.34) ADORA2AADORA1AADATADORA3
SCHEMBL15703049 0.78 LRRK2 (0.37) ADORA2AADORA1LRRK2AADATADORA3
SCHEMBL22021178 0.76 ADORA2A (0.41) ADORA2AADORA1AADATADORA3
SCHEMBL11060138 0.76 ADORA2A (0.33) ADORA2AADORA1AADATADORA3
SCHEMBL25019042 0.76 ADORA2A (0.37) ADORA2AADORA1CYP1A2LRRK2
SCHEMBL1559316 0.76 ADORA2A (0.41) ADORA2AADORA1CYP1A2LRRK2AADAT
SCHEMBL20903977 0.76 ADORA2A (0.41) ADORA2AADORA1CYP1A2LRRK2ADORA3
SCHEMBL23400639 0.76 ADORA2A (0.33) ADORA2AADORA1CYP1A2LRRK2AADAT
SCHEMBL18390052 0.76 ADORA2A (0.33) ADORA2AADORA1CYP1A2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20230135152-A1 PIKFYVE KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 WO disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
US-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-09 US disclosed
US-8236832-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2012-08-07 US disclosed
US-20090306155-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-10 US disclosed
US-7452907-B2 Conformationally constrained analogs useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20070298065-A1 2-Cyclopentyl-4-(4-phenoxyphenyl)thiazole-5-carboxamide; amidation; oxidation; cyclization; VERTEX PHARMACEUTICALS INCORPORATED 2007-12-27 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 (11 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-20170037032-A1 AMINO PYRIDINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP4K2B, PHKG1 ADORA2A 2955/4885ADORA1 2899/4885CYP1A2 2178/4885
US-20230135152-A1 PIKFYVE KINASE INHIBITORS PIKFYVE, PIP5K1B, PIP5K1C ADORA2A 4725/4885ADORA1 4759/4885CYP1A2 4578/4885
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 ADORA2A 2/4885ADORA1 9/4885CYP1A2 2705/4885
US-20090306155-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K1, MAP3K20 ADORA2A 3345/4885ADORA1 3477/4885CYP1A2 2298/4885
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1792/4885ADORA1 965/4885CYP1A2 1441/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885CYP1A2 3003/4885
US-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, CLK2, DDRGK1 ADORA2A 1404/4885ADORA1 3381/4885CYP1A2 2552/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B ADORA2A 2641/4885ADORA1 3705/4885CYP1A2 1805/4885
US-20230151074-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS GIPR, GLP1R, GCGR ADORA2A 387/4885ADORA1 595/4885CYP1A2 4735/4885
US-20070298065-A1 2-Cyclopentyl-4-(4-phenoxyphenyl)thiazole-5-carboxamide; amidation; oxidation; cyclization; PDXK, PRKACA, PRKACB ADORA2A 1522/4885ADORA1 2397/4885CYP1A2 1473/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B ADORA2A 2641/4885ADORA1 3705/4885CYP1A2 1805/4885

“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.