SCHEMBL518700

SCHEMBL518700

O=C1CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.38
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
PARP1 P09874 2/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2B6 P20813 1/20 0.33
GFER P55789 1/20 0.33
F2R P25116 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7005533 0.77 MAPK1 (0.45) HPGDHSD17B10CYP2B6CYP11B1CYP11B2
SCHEMBL569963 0.74 SIGMAR1 (0.48) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL1528523 0.73 CYP2B6 (0.36) ALOX5KMT2ARAB9AMEN1CYP2B6
SCHEMBL24737459 0.73 ALOX5 (0.41) ALOX5KMT2AMEN1ALDH1A1PARP1
SCHEMBL4387295 0.72 SMN1; SMN2 (0.34) L3MBTL1KMT2AALDH1A1CYP3A4
SCHEMBL9090858 0.72 SIGMAR1 (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8411629 0.72 SIGMAR1 (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL4400626 0.70 CYP2B6 (0.42) L3MBTL1ALOX5KMT2ARAB9AMEN1
SCHEMBL9650536 0.70 CYP2B6 (0.46) ALDH1A1KDM4ECYP2B6CYP11B1CYP11B2
SCHEMBL681146 0.70 TOP2A (0.43) L3MBTL1KMT2ARAB9APKMTOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2016-08-11 US disclosed
US-9266856-B2 AMPK—activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-23 US disclosed
US-8987303-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-24 US disclosed
US-8980921-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8809370-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 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-20160229838-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885ALOX5 4034/4885KMT2A 1194/4885
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR L3MBTL1 4412/4885ALOX5 2678/4885KMT2A 1698/4885
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 L3MBTL1 3126/4885ALOX5 3166/4885KMT2A 1257/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885ALOX5 4034/4885KMT2A 1194/4885
US-20140315884-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885ALOX5 4034/4885KMT2A 1194/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885ALOX5 4034/4885KMT2A 1194/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885ALOX5 4034/4885KMT2A 1194/4885
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 L3MBTL1 2998/4885ALOX5 4034/4885KMT2A 1194/4885

“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.