SCHEMBL958478

SCHEMBL958478

Cc1nc(C)c(B(O)O)s1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
COMT P21964 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL578433 0.69
SCHEMBL12538503 0.68 SMN1; SMN2 (0.56) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL13700990 0.65
SCHEMBL12537263 0.64 COMT (0.52) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL77218 0.64
SCHEMBL26115720 0.61
SCHEMBL95057 0.60
SCHEMBL13982880 0.60 LMNA (0.31) RAB9ANPC1ALDH1A1TP53MAPT
SCHEMBL160277 0.60
SCHEMBL2616828 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-03-23 US disclosed
EP-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed
EP-3048106-B1 THIENOPYRIMIDINE AS INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2019-11-06 EP disclosed
US-20190106433-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C WINDTREE THERAPEUTICS, INC. 2019-04-11 US disclosed
US-10183950-B2 Thienopyrimidine inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-01-22 US disclosed
EP-2953940-B1 PIPERIDIN-1-YL AND AZEPIN-1-YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2018-08-22 EP disclosed
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-06-29 US disclosed
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-06-08 US disclosed
WO-2014122474-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 WO disclosed
US-8575156-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO 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 (9 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 RAB9A 2866/4885NPC1 967/4885ALDH1A1 186/4885
US-10183950-B2 Thienopyrimidine inhibitors of atypical protein kinase C PRKCQ, PRKDC, PRKACA RAB9A 1214/4885NPC1 4305/4885ALDH1A1 3832/4885
US-20190106433-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKX, PRKCQ, PRKACA RAB9A 1367/4885NPC1 4382/4885ALDH1A1 4002/4885
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists CHRM1, CHRM2, CHRM4 RAB9A 1210/4885NPC1 1856/4885ALDH1A1 2224/4885
US-10954251-B2 Thienopyrimidine inhibitors of atypical protein kinase C PRKX, PRKCQ, PRKACA RAB9A 1367/4885NPC1 4382/4885ALDH1A1 4002/4885
US-20170158706-A1 THIENOPYRIMIDINE INHIBITORS OF ATYPICAL PROTEIN KINASE C PRKCQ, PRKDC, PRKACA RAB9A 1214/4885NPC1 4305/4885ALDH1A1 3832/4885
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 RAB9A 4131/4885NPC1 504/4885ALDH1A1 98/4885
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 RAB9A 1210/4885NPC1 1856/4885ALDH1A1 2224/4885
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 RAB9A 2690/4885NPC1 1917/4885ALDH1A1 1208/4885

“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.