SCHEMBL3004677

SCHEMBL3004677

O=C(O)c1nc(Br)sc1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.44
▸ BCL2L1 Q07817 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTGDR2 Q9Y5Y4 5/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ ALPL P05186 1/20 0.37
▸ RPA1 P27694 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ PIN1 Q13526 1/20 0.36
▸ HDAC3 O15379 1/20 0.36

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
SCHEMBL4068223 0.84 KDM4E (0.51) ALOX5ALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL2547639 0.83 KDM4E (0.47) ALOX5ALDH1A1CYP1A2CYP2C9HSD17B10
SCHEMBL14705609 0.83 MAPK14 (0.44) MAPK14BCL2L1BADALOX5ALDH1A1
SCHEMBL14706007 0.82 MAPK14 (0.43) MAPK14BCL2L1BADALOX5ALDH1A1
SCHEMBL496233 0.82 KDM4E (0.52) MAPK14BCL2L1BADALOX5ALDH1A1
SCHEMBL1778318 0.82 HCRTR1 (0.45) MAPK14BCL2L1BADALOX5ALDH1A1
SCHEMBL270942 0.82 HCRTR1 (0.51) ALOX5HCRTR1HCRTR2
SCHEMBL3003054 0.81 PIN1 (0.55) CYP1A2PTGDR2LMNACSNK2A1KDM4E
SCHEMBL924140 0.81 KDM4E (0.53) ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL1258223 0.80 MAPK14 (0.45) MAPK14BCL2L1BADALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 — — US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 — — US disclosed
CN-101874028-B 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD 2012-11-14 — — CN disclosed
US-8288411-B2 Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
CN-101568536-B 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 — — CN disclosed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 — — CN disclosed
CN-101874028-A 2-aza-bicyclo[3.3.0]octane derivatives ACTELION PHARMACEUTICALS LTD 2010-10-27 — — CN disclosed
CN-101874030-A Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2010-10-27 — — CN disclosed
US-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-05 — — US disclosed
EP-2207778-A2 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-07-21 — — EP disclosed
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 — — CN disclosed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 — — CN disclosed
WO-2009040730-A2 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-02 — — 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 (4 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 MAPK14 113/4885BCL2L1 3481/4885BAD 3045/4885
US-20160303128-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MAPK14 113/4885BCL2L1 3481/4885BAD 3045/4885
US-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R MAPK14 3715/4885BCL2L1 2949/4885BAD 1680/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MAPK14 113/4885BCL2L1 3481/4885BAD 3045/4885

“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.

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