SCHEMBL85424

SCHEMBL85424

Cc1nc2cc(C(C)C)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
TP53 P04637 2/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
GAA P10253 1/20 0.50
SCN4A P35499 1/20 0.49
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
OGA O60502 4/20 0.46
PAX8 Q06710 1/20 0.42
NOD2 Q9HC29 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL31359263 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL30644691 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL17541679 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL17541632 0.86 SMN1; SMN2 (0.54) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL2609433 0.85 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL19987494 0.83 HSD17B10 (0.51) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL18731289 0.83 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL889391 0.81 RAB9A (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL20437358 0.80 HSD17B10 (0.49) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10
SCHEMBL14288353 0.80 RAB9A (0.47) SMN1; SMN2RAB9AALDH1A1NPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
EP-3419972-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-07-26 EP disclosed
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
US-20080119549-A1 METABOLICALLY-STABILIZED INHIBITORS OF FATTY ACID AMIDE HYDROLASE N.V. ORGANON (NL) 2008-05-22 US disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
US-20080070890-A1 Spirocyclic Azetidinone Compounds and Methods of Use Thereof SCHERING CORPORATION 2008-03-20 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors AMBIT BIOSCIENCES CORPORATION 2007-10-04 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 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-20080070890-A1 Spirocyclic Azetidinone Compounds and Methods of Use Thereof LIPC, ZDHHC20, PMP22 SMN1; SMN2 676/4885RAB9A 3521/4885ALDH1A1 258/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 SMN1; SMN2 3122/4885RAB9A 3277/4885ALDH1A1 916/4885
US-20080119549-A1 METABOLICALLY-STABILIZED INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ABHD6 SMN1; SMN2 3682/4885RAB9A 1729/4885ALDH1A1 346/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885RAB9A 1535/4885ALDH1A1 2858/4885
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 SMN1; SMN2 2921/4885RAB9A 3149/4885ALDH1A1 607/4885
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 SMN1; SMN2 2127/4885RAB9A 433/4885ALDH1A1 1024/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 SMN1; SMN2 2370/4885RAB9A 2002/4885ALDH1A1 58/4885
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 SMN1; SMN2 3127/4885RAB9A 1730/4885ALDH1A1 3788/4885
US-20070232604-A1 receptor kinase inhibitors such as 3-(2-{4-[3-(5-tert-Butyl-isoxazol-3-yl)-ureido]-phenyl}-benzo[d]imidazo[2,1-b]thiazol-7-yl)-N-(2-morpholin-4-yl-ethyl)-propionamide; flk inhibitors GRK2, GRK3, BLK SMN1; SMN2 3321/4885RAB9A 3007/4885ALDH1A1 3405/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 SMN1; SMN2 3423/4885RAB9A 2160/4885ALDH1A1 4226/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A SMN1; SMN2 2923/4885RAB9A 1035/4885ALDH1A1 2054/4885

“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.