SCHEMBL210591

SCHEMBL210591

CN(C)C(=O)C=Cc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
HSP90AA1 P07900 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49

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
SCHEMBL24150010 1.00 KEAP1 (0.53) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL15056513 0.86 NFE2L2 (0.51) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL15056515 0.86 NFE2L2 (0.51) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL9944609 0.79 MEN1 (0.58) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL9817994 0.79 MEN1 (0.58) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL24149480 0.79 NR4A2 (0.41) KEAP1NFE2L2NPC1MEN1KMT2A
SCHEMBL2181667 0.79 NR4A2 (0.41) KEAP1NFE2L2NPC1MEN1KMT2A
SCHEMBL11999774 0.79 NPC1 (0.62) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL30317323 0.79 NPC1 (0.62) KEAP1NFE2L2HSP90AA1NPC1RAB9A
SCHEMBL12501248 0.78 NPC1 (0.39) KEAP1NFE2L2NPC1RAB9AMEN1

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-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 US disclosed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 US disclosed
US-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. 2006-08-31 US disclosed
US-20060173010-A1 Modulators of TNF-alpha signaling GENZYME 2006-08-03 US disclosed
US-7034031-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2006-04-25 US disclosed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer GENZYME CORPORATION 2004-09-02 US disclosed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 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 (10 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 KEAP1 2479/4885NFE2L2 929/4885HSP90AA1 4483/4885
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 KEAP1 1095/4885NFE2L2 816/4885HSP90AA1 1992/4885
US-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 KEAP1 1557/4885NFE2L2 280/4885HSP90AA1 569/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 KEAP1 781/4885NFE2L2 324/4885HSP90AA1 693/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 KEAP1 3000/4885NFE2L2 941/4885HSP90AA1 523/4885
US-20060173010-A1 Modulators of TNF-alpha signaling TNF, TNFRSF1A, TNFRSF9 KEAP1 3000/4885NFE2L2 941/4885HSP90AA1 523/4885
US-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 KEAP1 1243/4885NFE2L2 3317/4885HSP90AA1 4381/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 KEAP1 702/4885NFE2L2 1144/4885HSP90AA1 579/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 KEAP1 3000/4885NFE2L2 941/4885HSP90AA1 523/4885
US-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRM1, GRIK5 KEAP1 3292/4885NFE2L2 3032/4885HSP90AA1 2544/4885

“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.