SCHEMBL496233

SCHEMBL496233

Nc1nc(C(=O)O)c(-c2ccc(F)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
PKM P14618 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FBP1 P09467 1/20 0.47
RCE1 Q9Y256 1/20 0.44
MAPK14 Q16539 1/20 0.43
ALOX5 P09917 2/20 0.42
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
CYP1A2 P05177 3/20 0.41
MAPT P10636 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 2/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL496182 0.85 ALDH1A1 (0.69) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL923230 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3004677 0.82 MAPK14 (0.44) KDM4EALDH1A1HSD17B10MAPK14ALOX5
SCHEMBL10664560 0.82 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496375 0.82 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496186 0.82 PIN1 (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL14706007 0.81 MAPK14 (0.43) KDM4EALDH1A1HSD17B10MAPK14ALOX5
SCHEMBL270942 0.81 HCRTR1 (0.51) ALOX5
SCHEMBL1778318 0.81 HCRTR1 (0.45) KDM4EALDH1A1SMN1; SMN2HSD17B10PKM
SCHEMBL1258223 0.78 MAPK14 (0.45) ALDH1A1HSD17B10MAPK14ALOX5BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188282-B1 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-23 EP claimed
CN-101778846-B 1, 2-diamido-ethylene derivatives as orexin antagonists ACTELION PHARMACEUTICALS LTD 2012-11-14 CN claimed
CN-101778846-A 1, 2-diamido-ethylene derivatives as orexin antagonists ACTELION PHARMACEUTICALS LTD 2010-07-14 CN claimed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP claimed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO claimed
EP-2739143-B1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5- MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS FLYNN GARY A (US) 2018-07-11 EP disclosed
US-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 US disclosed
US-9833455-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors SPACEFILL ENTERPRISES LLC (US) 2017-12-05 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2016-10-20 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
US-9221805-B2 Preparation and methods of use for ortho-aryl 5-membered heteroaryl-carboxamide containing multi-targeted kinase inhibitors Spacefill Enterprises LLP (US) 2015-12-29 US disclosed
CN-101778846-A 1, 2-diamido-ethylene derivatives as orexin antagonists ACTELION PHARMACEUTICALS LTD 2010-07-14 CN disclosed
CN-101730696-A 3-aza-bicyclo [3.3.0] octane compounds ACTELION PHARMACEUTICALS LTD 2010-06-09 CN disclosed
EP-2188282-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-05-26 EP disclosed
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 CN disclosed
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 EP disclosed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN disclosed
WO-2009022311-A2 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-19 WO disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 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 (2 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KDM4E 941/4885ALDH1A1 3761/4885SMN1; SMN2 3035/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 KDM4E 941/4885ALDH1A1 3761/4885SMN1; SMN2 3035/4885

“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.