SCHEMBL545249

SCHEMBL545249

Cc1ccn2nc(C)cc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 4/20 0.37
AHR P35869 1/20 0.37
PDE10A Q9Y233 2/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.34
COMT P21964 1/20 0.33
PIK3CG P48736 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
SCHEMBL16478033 0.82 PIK3CG (0.50) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL3132802 0.82 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL8811373 0.82 KDM4E (0.47) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL1523849 0.82 KDM4E (0.47) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL15690263 0.82 KDM4E (0.47) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL3345939 0.82 KDM4E (0.47) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL21097673 0.80 KDM4E (0.36) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL20048908 0.80 CSNK1A1 (0.45) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL25124610 0.79 ALDH1A1 (0.44) KDM4EALDH1A1L3MBTL1MAPK1HTT
SCHEMBL17132540 0.79 KDM4E (0.44) KDM4EALDH1A1L3MBTL1MAPK1HTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4185293-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE The Regents of The University of Michigan (US) 2023-05-31 EP disclosed
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
WO-2022020424-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-01-27 WO disclosed
WO-2019118571-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-06-20 WO disclosed
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers EFFECTOR THERAPEUTICS, INC. (US) 2018-06-19 US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO disclosed
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
EP-2922840-B1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
WO-2014074657-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-8110580-B2 Thiophene pyrazolopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-07 US disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CHEN ZHAOGEN 2010-01-28 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 (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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 KDM4E 3263/4885ALDH1A1 3125/4885L3MBTL1 1882/4885
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 KDM4E 225/4885ALDH1A1 3540/4885L3MBTL1 1756/4885
US-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4063/4885ALDH1A1 3636/4885L3MBTL1 3448/4885
US-20100022560-A1 THIOPHENE PYRAZOLOPYRIMIDINE COMPOUNDS CRH, CRHR1, CRHR2 KDM4E 4111/4885ALDH1A1 2135/4885L3MBTL1 4751/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4113/4885ALDH1A1 3492/4885L3MBTL1 3523/4885
US-10000487-B2 Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers MAP3K9, MAP3K19, MAP3K20 KDM4E 1316/4885ALDH1A1 4542/4885L3MBTL1 3123/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KDM4E 4113/4885ALDH1A1 3492/4885L3MBTL1 3523/4885

“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.