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
SCHEMBL17658845 0.78 MPO (0.59) MPOALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL19819749 0.78 MPO (0.42) ADORA3MPOALDH1A1CYP1A2CYP2C19
SCHEMBL18081416 0.77 LMNA (0.37) ADORA3ADORA1ALDH1A1CYP1A2KDM4E
SCHEMBL17459798 0.77 HTT (0.42) ADORA3ADORA1ALDH1A1CYP1A2CYP2C19
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.