SCHEMBL7872383

SCHEMBL7872383

Cc1ccc(C(=O)N(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MTOR P42345 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DYRK1A Q13627 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39

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
SCHEMBL25685929 0.85 TDP1 (0.42) TDP1RAB9AMAPTPIK3CDPIK3CA
SCHEMBL11929579 0.82 TDP1 (0.40) TDP1RAB9AMAPTCCR1CCR5
SCHEMBL16545869 0.82 TDP1 (0.50) TDP1RAB9AMAPTCCR1CCR5
SCHEMBL1976172 0.80 PIK3CD (0.43) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL471340 0.79 TDP1 (0.58) TDP1RAB9AMAPTKDM4EALDH1A1
SCHEMBL24341942 0.79 TDP1 (0.42) TDP1RAB9AMAPTMTORKDM4E
SCHEMBL7879115 0.79 MTOR (0.47) TDP1RAB9AMAPTMTORKDM4E
SCHEMBL23417253 0.79 TDP1 (0.39) TDP1RAB9AMAPTMTORKDM4E
SCHEMBL2669393 0.78 PIK3CD (0.43) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL642847 0.78 ALDH1A1 (0.60) RAB9AMAPTPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2022271562-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-12-29 WO disclosed
WO-2022081912-A2 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-21 WO disclosed
EP-3581576-B1 TRICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS FOR USE IN THE TREATMENT OF A PROLIFERATIVE DISEASE IN COMBINATION WITH A JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2022-01-26 EP disclosed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US disclosed
EP-3888657-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2021-10-06 EP disclosed
WO-2021068952-A1 BENZODIHYDROPYRAN COMPOUND TARGETING ALDO-KETO REDUCTASE 1C3 南京明德新药研发有限公司 2021-04-15 WO disclosed
US-20110039833-A1 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-7846922-B2 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists GLAXO GROUP LIMITED (GB) 2010-12-07 US disclosed
US-7846922-B2 1-benzoyl substituted diazepine derivatives as selective histamine H3 receptor agonists GLAXO GROUP LIMITED (GB) 2010-12-07 US disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods GENENTECH, INC. 2010-02-25 US disclosed
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. 2010-02-11 US disclosed
WO-2009155565-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed
WO-2009155551-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2009-12-23 WO disclosed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 US disclosed
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists GLAXO GROUP LIMITED (GB) 2008-02-21 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 (8 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-20110039833-A1 1-BENZOYL SUBSTITUTED DIAZEPINE DERIVATIVES AS SELECTIVE HISTAMINE H3 RECEPTOR AGONISTS HRH3, HRH4, HRH1 TDP1 2710/4885RAB9A 1436/4885MAPT 477/4885
US-20100048557-A1 Triazolopyridine JAK Inhibitor Compounds and Methods JAK2, JAK1, JAK3 TDP1 379/4885RAB9A 1534/4885MAPT 608/4885
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 TDP1 916/4885RAB9A 3080/4885MAPT 4195/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 TDP1 3426/4885RAB9A 901/4885MAPT 4773/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A TDP1 1742/4885RAB9A 1139/4885MAPT 236/4885
US-20100035875-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 TDP1 379/4885RAB9A 1534/4885MAPT 608/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 TDP1 1589/4885RAB9A 1527/4885MAPT 4011/4885
US-20080045505-A1 1-Benzoyl Substituted Diazepine Derivatives As Selective Histamine H3 Receptor Agonists HRH3, HRH4, HRH1 TDP1 3111/4885RAB9A 1317/4885MAPT 548/4885

“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.