SCHEMBL435034

SCHEMBL435034

Cc1ccc2c(c1)nnn2C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.56
KEAP1 Q14145 4/20 0.55
SLC9A1 P19634 1/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.49
HPGD P15428 5/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KCNMA1 Q12791 2/20 0.45
TDO2 P48775 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2479198 0.85 RAB9A (0.51) HCAR3KEAP1SLC9A1RAB9ANPC1
SCHEMBL3462849 0.83 SLC9A1 (0.55) HCAR3KEAP1SLC9A1RAB9ANPC1
SCHEMBL11270062 0.81 KCNMA1 (0.46) HCAR3RAB9ANPC1POLBMAPT
SCHEMBL22084279 0.79 KCNMA1 (0.45) HCAR3RAB9APOLBMAPTSMN1; SMN2
SCHEMBL15345193 0.78 TDO2 (0.49) HCAR3KEAP1SLC9A1RAB9ANPC1
SCHEMBL24296701 0.78 KCNMA1 (0.44) RAB9ANPC1POLBSMN1; SMN2MEN1
SCHEMBL5968408 0.78 KCNMA1 (0.44) RAB9APOLBMAPTSMN1; SMN2MEN1
SCHEMBL2374744 0.78 HCAR3 (0.54) HCAR3KEAP1SLC9A1RAB9ANPC1
SCHEMBL12100525 0.78 HCAR3 (0.54) HCAR3KEAP1SLC9A1RAB9ANPC1
SCHEMBL1814827 0.78 ALDH1A1 (0.53) RAB9APOLBMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107155367-B Aqueous and semi-aqueous cleaners utilizing tungsten and cobalt compatibility to remove post-etch residue 恩特格里斯公司 2021-12-21 CN claimed
EP-2119717-B1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2018-01-17 EP claimed
EP-2350090-B1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2015-06-03 EP claimed
US-8697868-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-15 US claimed
US-8263606-B2 Spiro-oxindole compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2012-09-11 US claimed
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 US claimed
EP-2358673-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-08-24 EP claimed
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2010-06-03 US claimed
WO-2010058353-A1 NOVEL BIS-AMIDES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-05-27 WO claimed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US claimed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP claimed
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed
EP-4289827-A1 FUSED RING DERIVATIVES CONTAINING 1,4-OXAZEPANE Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
EP-0322553-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL AND A PROCESS FOR FORMING A HIGH CONTRASTPHOTOGRAPHIC IMAGE DAINIPPON INK AND CHEMICALS, INC. (JP) 1993-01-27 EP disclosed
US-4927734-A CONTAINING A FORMYLHYDRAZINOPYRIDINE COMPOUND DAINIPPON INK. AND CHEMICALS, INC. (JP) 1990-05-22 US disclosed
EP-0322553-A1 Silver halide photographic light-sensitive material and a process for forming a high contrastphotographic image DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-07-05 EP 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 (7 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT HCAR3 2858/4885KEAP1 1269/4885SLC9A1 3866/4885
US-20050203095-A1 Imidazopyridazinediones, their preparation and their use as pharmaceutical compositions DPP4, DPP3, DPP7 HCAR3 2607/4885KEAP1 1540/4885SLC9A1 2295/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 HCAR3 4732/4885KEAP1 399/4885SLC9A1 4817/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 HCAR3 2038/4885KEAP1 2268/4885SLC9A1 977/4885
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 HCAR3 1559/4885KEAP1 1709/4885SLC9A1 3543/4885
US-20050234108-A1 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions DPP8, DPP4, DPP7 HCAR3 2260/4885KEAP1 2305/4885SLC9A1 664/4885
US-20100137299-A1 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV3, TRPV1, TRPC3 HCAR3 611/4885KEAP1 836/4885SLC9A1 295/4885

“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.