SCHEMBL422747

SCHEMBL422747

CNC(=O)c1cnc(Cl)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CNR1 P21554 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL31306894 0.80 SIRT6 (0.62) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL932448 0.80 SIRT6 (0.62) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL16987317 0.79 SIRT6 (0.52) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL17697617 0.79 SIRT6 (0.52) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL16235935 0.79 SIRT6 (0.52) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL931242 0.79 SIRT6 (0.52) SIRT6JUNNFKB1NFKB2RELA
SCHEMBL14683912 0.79 CNR1 (0.45) CNR1RAB9ANPC1LMNAMAPT
SCHEMBL24204452 0.78 CNR1 (0.44) CNR1RAB9ANPC1LMNAMAPT
SCHEMBL30874242 0.78 NPC1 (0.56) NFKB1NFKB2RELACNR1RAB9A
SCHEMBL1663474 0.78 NPC1 (0.56) NFKB1NFKB2RELACNR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
US-10196381-B2 Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD (CN) 2019-02-05 US disclosed
EP-3012256-B1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECH CO LTD (CN) 2018-08-08 EP disclosed
US-9682995-B2 Amino-substituted isothiazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
US-9682995-B2 Amino-substituted isothiazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
US-9682995-B2 Amino-substituted isothiazoles BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-20 US disclosed
EP-2951174-B1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma AG (DE) 2017-04-26 EP disclosed
EP-2951174-B1 AMINO-SUBSTITUTED ISOTHIAZOLES Bayer Pharma AG (DE) 2017-04-26 EP disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECHNOLOGY CO., LTD. (CN) 2016-06-09 US disclosed
CN-101951904-A Benzothiazole and benzoxazole derivatives and methods of use ABBOTT LAB 2011-01-19 CN disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2009-06-25 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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 (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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 SIRT6 53/4885JUN 1314/4885NFKB1 2030/4885
US-20160159776-A1 BENZIMIDAZOLE-2-PIPERAZINE HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, PREPARATION METHOD AND USE THEREOF PARP2, PARP1, PARP15 SIRT6 324/4885JUN 3294/4885NFKB1 1664/4885
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 SIRT6 3694/4885JUN 4851/4885NFKB1 3395/4885
US-10196381-B2 Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition containing the same, preparation method and use thereof PARP2, PARP1, PARP15 SIRT6 324/4885JUN 3294/4885NFKB1 1664/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA SIRT6 1278/4885JUN 1492/4885NFKB1 160/4885
US-20090163464-A1 BENZOTHIAZOLE AND BENZOOXAZOLE DERIVATIVES AND METHODS OF USE HRH2, HRH1, HRH4 SIRT6 2258/4885JUN 2796/4885NFKB1 2767/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 SIRT6 209/4885JUN 3807/4885NFKB1 2150/4885

“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.