SCHEMBL56808

SCHEMBL56808

CN(C(=O)OC(C)(C)C)c1ccc(N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.37
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
PDK2 Q15119 1/20 0.32
BRD4 O60885 1/20 0.32
NR1H2 P55055 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PTGS1 P23219 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SSTR4 P31391 1/20 0.31
SYK P43405 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL6018932 0.86 SYK (0.37) ALDH1A1KDM4EPOLBRAB9AGPR119
SCHEMBL8723112 0.85 KDM4E (0.34) ALDH1A1KDM4EPOLBRAB9AGPR119
SCHEMBL20037705 0.83 TTK (0.39) TTKPAX8ALDH1A1KDM4ERAB9A
SCHEMBL23620907 0.82 SSTR4 (0.34) KDM4EPOLBRAB9ACKS1BSKP1
SCHEMBL29392374 0.82 SSTR4 (0.34) KDM4EPOLBRAB9ACKS1BSKP1
SCHEMBL1181429 0.82 GBA1 (0.42) TTKPAX8ALDH1A1KDM4ERAB9A
SCHEMBL11968939 0.82 GABRG2 (0.38) TTKPAX8ALDH1A1KDM4EGPR119
SCHEMBL989173 0.82 TTK (0.37) TTKPAX8ALDH1A1GPR119BRD4
SCHEMBL29827507 0.82 GBA1 (0.42) TTKPAX8ALDH1A1KDM4ERAB9A
SCHEMBL19674226 0.81 AOC3 (0.34) KDM4EPOLBRAB9AGPR119TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072890-B1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI PHARMA INC (US) 2018-10-17 EP disclosed
EP-3072890-A1 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy MEI Pharma, Inc. (US) 2016-09-28 EP disclosed
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP disclosed
US-9108980-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2015-08-18 US disclosed
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2015-02-05 US disclosed
US-8772287-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2014-07-08 US disclosed
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2013-10-31 US disclosed
US-8486939-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-07-16 US disclosed
US-8461158-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-06-11 US disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2011-01-13 US disclosed
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 US disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US disclosed
EP-1040111-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-06-22 EP disclosed
US-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed
CN-1284955-A Integrin receptor antagonists MERCK & CO INC (US) 2001-02-21 CN disclosed
US-6066648-A USEFUL IN INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH MERCK & CO., INC. (US) 2000-05-23 US disclosed
US-6017926-A Integrin receptor antagonists MERCK & CO., INC. (US) 2000-01-25 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 (5 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-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS TTK 2281/4885PAX8 4598/4885ALDH1A1 318/4885
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD TTK 208/4885PAX8 4326/4885ALDH1A1 2453/4885
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS TTK 2281/4885PAX8 4598/4885ALDH1A1 318/4885
US-20110009405-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY TYMP, TYMS, CCNI TTK 1324/4885PAX8 4641/4885ALDH1A1 162/4885
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS TTK 2281/4885PAX8 4598/4885ALDH1A1 318/4885

“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.