SCHEMBL7849024

SCHEMBL7849024

COc1ccc(C)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
S1PR4 O95977 1/20 0.44
MAPT P10636 2/20 0.44
TGFBR1 P36897 1/20 0.43
NQO2 P16083 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
CCR1 P32246 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 1/20 0.40
ADORA1 P30542 1/20 0.40
NQO1 P15559 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8123507 0.78 S1PR4 (0.43) KDM4EL3MBTL1S1PR4MAPTTGFBR1
SCHEMBL7234381 0.78 S1PR4 (0.43) KDM4EL3MBTL1S1PR4MAPTTGFBR1
SCHEMBL12093603 0.78 KDM4E (0.52) KDM4EL3MBTL1S1PR4MAPTNQO2
SCHEMBL10304986 0.78 RAB9A (0.45) KDM4EL3MBTL1MAPTNQO2KMT2A
SCHEMBL8062500 0.78 MAPT (0.42) KDM4EL3MBTL1MAPTNQO2ACHE
SCHEMBL4977234 0.78 KDM4E (0.52) KDM4EL3MBTL1MAPTTGFBR1NQO2
SCHEMBL4573187 0.76 KDM4E (0.50) KDM4EL3MBTL1MAPTNQO2MEN1
SCHEMBL19088185 0.76 KDM4E (0.50) KDM4EL3MBTL1MAPTNQO2MEN1
SCHEMBL2462970 0.76 S1PR4 (0.47) KDM4EL3MBTL1S1PR4MAPTNQO2
SCHEMBL6608419 0.76 NQO2 (0.43) KDM4EL3MBTL1MAPTNQO2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds NOVARTIS AG (CH) 2023-11-16 US disclosed
WO-2023130054-A2 HETEROARYL COMPOUNDS AS INHIBITORS OF IRAK4, COMPOSITIONS AND APPLICATIONS THEREOF ACCRO BIOSCIENCE (HK) LIMITED (CN) 2023-07-06 WO disclosed
WO-2021061898-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS NOVARTIS AG (CH) 2021-04-01 WO disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 US disclosed
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 EP disclosed
US-9850237-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-12-26 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
EP-2415759-A1 CETP inhibitors Merck Sharp & Dohme Corporation (US) 2012-02-08 EP disclosed
EP-2079731-B1 NOVEL SUBSTITUTED PIPERIDYL-PROPANE-THIOLS BOEHRINGER INGELHEIM INT (DE) 2011-09-14 EP disclosed
WO-2010130423-A1 7-ARYL-1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-11-18 WO disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 CN disclosed
US-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
US-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
US-20090022047-A1 OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
US-20090022047-A1 OPTICAL RECORDING MEDIUM AND METHOD OF RECORDING VISIBLE INFORMATION FUJIFILM CORPORATION (JP) 2009-01-22 US disclosed
CN-101180297-A Alkynyl pyrrolopyrimidines and related analogs as hsp90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2008-05-14 CN disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN 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 (6 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-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R KDM4E 1025/4885L3MBTL1 3339/4885S1PR4 243/4885
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885S1PR4 337/4885
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 KDM4E 4790/4885L3MBTL1 4422/4885S1PR4 337/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885L3MBTL1 2574/4885S1PR4 4341/4885
US-20230365511-A1 Antiviral Pyrazolopiridinone Compounds ZC3HAV1, ZC3HAV1L, RPL35 KDM4E 473/4885L3MBTL1 4873/4885S1PR4 2593/4885
US-20090264425-A1 CHEMICAL COMPOUNDS POLR2E, POLR2A, POLRMT KDM4E 382/4885L3MBTL1 1136/4885S1PR4 3448/4885

“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.