SCHEMBL1179121

SCHEMBL1179121

Cc1cc(C(=N)NO)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.48
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
SLC6A3 Q01959 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
SORT1 Q99523 2/20 0.33
DYRK1A Q13627 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL2134993 0.78 KDM1A (0.42) HDAC1HDAC6KDM4E
SCHEMBL4394180 0.78 KDM4D (0.31) KDM4E
SCHEMBL21745897 0.78 UHRF1 (0.48) UHRF1HDAC1HDAC6HDAC3HDAC2
SCHEMBL28697954 0.77 HDAC6 (0.60) UHRF1HDAC1HDAC6HDAC3HDAC2
SCHEMBL31656123 0.77 TAS1R3 (0.39)
SCHEMBL642118 0.77 RECQL (0.41) SMARCA2SMARCA4SLC6A3TAAR1PROKR1
SCHEMBL312499 0.77 GABRP (0.53) HDAC1HDAC6DYRK1AMEN1KMT2A
SCHEMBL1727183 0.77 PROKR1 (0.38) PROKR1
SCHEMBL17063927 0.77 KCNK3 (0.45) HDAC1PROKR1DYRK1AKDM4ECCR9
SCHEMBL3554899 0.76 PRSS1 (0.50) UHRF1NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
CN-114269340-A KCNT1 inhibitors and methods of use 普拉克西斯精密药物股份有限公司 2022-04-01 CN disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
EP-2013201-B1 HETEROCYCLIC GPCR AGONISTS PROSIDION LTD (GB) 2012-07-25 EP disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
EP-2262800-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
WO-2009109907-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
US-20090221639-A1 Heterocyclic GPCR Agonists PROSIDION LIMITED (GB) 2009-09-03 US disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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 (4 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-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR UHRF1 3807/4885HDAC1 685/4885HDAC6 1151/4885
US-20090221639-A1 Heterocyclic GPCR Agonists GPR119, GCGR, GLP1R UHRF1 4030/4885HDAC1 1882/4885HDAC6 2365/4885
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 UHRF1 2759/4885HDAC1 1579/4885HDAC6 1530/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 UHRF1 2655/4885HDAC1 1680/4885HDAC6 1167/4885

“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.