SCHEMBL10129331

SCHEMBL10129331

CC(C)c1c2ccccc2nn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ MPO P05164 8/20 0.43
▸ SLC9A1 P19634 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ SLC2A1 P11166 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL25430301 0.80 MPO (0.38) MPOSLC9A1KEAP1SLC2A1ALDH1A1
SCHEMBL19819749 0.78 MPO (0.42) ADORA3MPOALDH1A1CYP1A2CYP2C19
SCHEMBL17658845 0.78 MPO (0.59) MPOALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL17459798 0.77 HTT (0.42) ADORA3ADORA1ALDH1A1CYP1A2CYP2C19
SCHEMBL18081416 0.77 LMNA (0.37) ADORA3ADORA1ALDH1A1CYP1A2KDM4E
SCHEMBL19836555 0.77 NPC1 (0.38) ADORA3ADORA1ALDH1A1CYP2C19SMN1; SMN2
SCHEMBL18293606 0.76 MPO (0.56) MPOALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25082278 0.76 CDK9 (0.36) ADORA3ADORA1MPOCYP2C19
SCHEMBL15341875 0.76 ADORA3 (0.38) ADORA3ADORA1CYP2C19KDM5AKDM4C
SCHEMBL23996985 0.76 ESR1 (0.38) ADORA3ADORA1ALDH1A1CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114357-A1 BIFUNCTIONAL PROTAC AND MOLECULAR GLUE COMPOUNDS AND METHODS OF USE THEREOF BAERENKRAFT THERAPEUTICS, LLC 2025-04-10 — — US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 — — US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 — — US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 — — US disclosed
US-20230140238-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-05-04 — — US disclosed
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — WO disclosed
CN-108264512-A Nitrogenous fused heterocyclic compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2018-07-10 — — CN disclosed
US-7989626-B2 Modulators of cellular adhesion SAR code Corporation (US) 2011-08-02 — — US disclosed
US-20110124669-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 — — US disclosed
US-20110124625-A1 Modulators of Cellular Adhesion SARCODE CORPORATION (US) 2011-05-26 — — US disclosed
US-7928122-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2011-04-19 — — US disclosed
US-7790743-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-09-07 — — US disclosed
US-7745460-B2 Modulators of cellular adhesion SARCODE CORPORATION (US) 2010-06-29 — — US disclosed
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION BAUSCH + LOMB IRELAND LIMITED (IE) 2010-04-15 — — US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 — — US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 — — US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 — — 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-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ADORA3 257/4885ADORA1 106/4885MPO 1854/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 ADORA3 77/4885ADORA1 85/4885MPO 1444/4885
US-20230140238-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 ADORA3 4244/4885ADORA1 3713/4885MPO 895/4885
US-20100093693-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ADORA3 260/4885ADORA1 106/4885MPO 1893/4885
US-20110124625-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ADORA3 257/4885ADORA1 106/4885MPO 1854/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 ADORA3 1483/4885ADORA1 690/4885MPO 670/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADORA3 2176/4885ADORA1 1295/4885MPO 1755/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADORA3 2193/4885ADORA1 1338/4885MPO 1788/4885
US-20110124669-A1 Modulators of Cellular Adhesion ITGB1, VCAM1, ITGB8 ADORA3 257/4885ADORA1 106/4885MPO 1854/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ADORA3 253/4885ADORA1 104/4885MPO 1840/4885
US-20250114357-A1 BIFUNCTIONAL PROTAC AND MOLECULAR GLUE COMPOUNDS AND METHODS OF USE THEREOF F12, RPP30, RPS27A ADORA3 800/4885ADORA1 1702/4885MPO 2913/4885

“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.

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