Sugi Predict

Sugi Predict / Compounds / SCHEMBL320589

SCHEMBL320589

SCHEMBL320589

Cc1nc(C)c(-c2ccc(F)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CDK2 P24941 2/20 0.50
▸ JAK2 O60674 1/20 0.47
▸ COMT P21964 2/20 0.46
▸ PDPK1 O15530 1/20 0.45
▸ ALOX5 P09917 3/20 0.43
▸ CDK4 P11802 2/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 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
SCHEMBL327670 0.83 ALOX5 (0.54) KDM4EMEN1ALDH1A1MAPTRAB9A
SCHEMBL16806020 0.82 ALOX5 (0.58) PTGS2KDM4EALDH1A1RAB9ACOMT
SCHEMBL4042164 0.82 PTGS2 (0.42) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL23416283 0.81 MAPK14 (0.49) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL21615547 0.81 PTGS2 (0.51) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL330449 0.81 MAPT (0.53) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL12943444 0.80 PTGS2 (0.53) PTGS2MAPTRAB9ACDK2JAK2
SCHEMBL22130327 0.80 JAK2 (0.55) PTGS2KDM4EMEN1ALDH1A1MAPT
SCHEMBL327283 0.80 PTGS1 (0.53) PTGS2KDM4EMAPTRAB9ACDK2
SCHEMBL12362816 0.80 ALOX5 (0.52) CDK2JAK2COMTALOX5CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040966-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-22 — — US disclosed
WO-2020099511-A1 BENZIMIDAZOLE-2-METHYL-MORPHOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-05-22 — — WO disclosed
WO-2020007977-A1 7-TRIFLUOROMETHYL-[1,4]DIAZEPAN DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 — — WO disclosed
WO-2020007964-A1 2-(2-AZABICYCLO[3.1.0]HEXAN-1-YL)-1H-BENZIMIDAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-01-09 — — WO disclosed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-08-29 — — US disclosed
US-10329287-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-25 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-10-26 — — US disclosed
US-9732075-B2 Benzimidazole-proline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-15 — — US disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 — — EP disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 — — US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 — — EP disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 — — US disclosed
WO-2004026866-A1 N-AROYL CYCLIC AMINES AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-01 — — WO disclosed
WO-2003041711-A1 PIPERAZINE BIS-AMIDE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF THE OREXIN RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-22 — — 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 (7 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-10329287-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R PTGS2 2480/4885KDM4E 2320/4885MEN1 1769/4885
US-11040966-B2 Benzimidazole-proline derivatives HCRTR1, HCRTR2, NPY1R PTGS2 2480/4885KDM4E 2320/4885MEN1 1769/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR PTGS2 246/4885KDM4E 1821/4885MEN1 2142/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PTGS2 271/4885KDM4E 1698/4885MEN1 2098/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA PTGS2 1676/4885KDM4E 2305/4885MEN1 3254/4885
US-20190263797-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R PTGS2 2480/4885KDM4E 2320/4885MEN1 1769/4885
US-20170305897-A1 BENZIMIDAZOLE-PROLINE DERIVATIVES HCRTR1, HCRTR2, NPY1R PTGS2 2480/4885KDM4E 2320/4885MEN1 1769/4885

“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.