Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609642

SCHEMBL1609642

SCHEMBL1609642

CCNC(=O)c1cc[nH]c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRD1 P41143 4/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ TAS2R8 Q9NYW2 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 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
Phosphoric Acid SCHEMBL27833592 0.95 ACACB (0.39) ACACBCA12CA9CDK8MEN1
SCHEMBL27833591 0.93 CA12 (0.43) ACACBCA12CA9CDK8MEN1
SCHEMBL30454175 0.84 KDM4E (0.40) ACACBLMNA
SCHEMBL6470924 0.82 SMN1; SMN2 (0.58) HPGD
SCHEMBL29992324 0.81 BLM (0.37) ACACBMEN1LMNAMAPTKMT2A
SCHEMBL31672535 0.80 MAPT (0.49) MEN1LMNAMAPTKMT2A
SCHEMBL5163535 0.80 KDM4E (0.34) ACACBMEN1LMNAMAPTKMT2A
SCHEMBL30566941 0.80 NAMPT (0.44) ACACB
SCHEMBL29038552 0.80 NAAA (0.62) MEN1LMNAMAPTHPGDKMT2A
SCHEMBL29038569 0.80 NAAA (0.62) MEN1LMNAMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502241-B As the pyrimidinyl-pyrrolesactive active of the replacement of kinase inhibitor NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-23 — — CN claimed
CN-104306377-A Isoxazole compound for the treatment of cancer NOVARTIS AG 2015-01-28 — — CN claimed
CN-103502241-A Substituted pyrimidinyl-pyrroles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-01-08 — — CN claimed
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 — — US disclosed
CN-105727297-A PHARMACEUTICAL COMBINATION COMPRISING A HSP90 INHIBITOR AND A MTOR INHIBITOR 诺华股份有限公司 2016-07-06 — — CN disclosed
CN-103502241-B As the pyrimidinyl-pyrrolesactive active of the replacement of kinase inhibitor NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-03-23 — — CN disclosed
US-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 — — US disclosed
CN-104306377-A Isoxazole compound for the treatment of cancer NOVARTIS AG 2015-01-28 — — CN disclosed
CN-103502241-A Substituted pyrimidinyl-pyrroles active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2014-01-08 — — CN disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 — — US disclosed
CN-101472917-A Benzimidazole 5-sulfonamide derivatives as cannabinoid 1 (CB1) receptor ligands ASTRAZENECA AB (SE) 2009-07-01 — — CN disclosed
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 — — WO disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 — — WO disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — 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 (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-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 ACACB 4614/4885CA12 4241/4885CA9 2463/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE ACACB 3053/4885CA12 4460/4885CA9 4880/4885

“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.