Sugi Predict

Sugi Predict / Compounds / SCHEMBL131072

SCHEMBL131072

SCHEMBL131072

[CH]1CCOc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 1/20 0.52
▸ ICAM1 P05362 1/20 0.52
▸ ITGAL P20701 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CRHBP P24387 2/20 0.46
▸ CRHR2 Q13324 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ GAA P10253 1/20 0.34
▸ KEAP1 Q14145 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL19259524 0.77 ITGB2 (0.37) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL465130 0.77 ITGB2 (0.48) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL158578 0.75 — —
SCHEMBL11519392 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29997436 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27796077 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11399163 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11406989 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6791411 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8518 0.70 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112313234-B Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2022-04-29 — — CN claimed
US-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEONE MEDICINES I GMBH (CH) 2021-07-01 — — US claimed
EP-3793559-A1 SUBSTITUTED DIHYDROPYRAZOLO PYRAZINE CARBOXAMIDE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-03-24 — — EP claimed
CN-112469412-A Substituted dihydropyrazolopyrazine carboxamide derivatives 拜耳公司 2021-03-09 — — CN claimed
CN-112313234-A Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists 百济神州有限公司 2021-02-02 — — CN claimed
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-04-09 — — US claimed
EP-3601245-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2020-02-05 — — EP claimed
WO-2018183411-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-10-04 — — WO claimed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 — — US claimed
US-20160115131-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-04-28 — — US claimed
EP-0699438-A2 Use of neurotensin antagonists for the preparation of diuretic drugs SANOFI (FR) 1996-03-06 — — EP claimed
EP-0685466-A1 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives CIBA-GEIGY AG (CH) 1995-12-06 — — EP claimed
US-5260444-A Cardiovascular, hypotensive WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 — — US claimed
US-5225207-A Complexes derived from platinum, their preparation and the pharmaceutical compositions which contain them LABORATOIRE ROGER BELLON (FR) 1993-07-06 — — US claimed
EP-0335375-B1 ANTIHYPERLIPIDEMIC AND ANTIATHEROSCLEROTIC COMPOUNDS AND COMPOSITIONS WARNER-LAMBERT COMPANY (US) 1993-06-09 — — EP claimed
US-5208245-A Hypotensive agents WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-05-04 — — US claimed
EP-0460418-A2 Novel Dihydropyridine derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-12-11 — — EP claimed
US-4948806-A N-2,6-DIALKYL-OR N-2,6-DIALKOXYPHENYL-N'-ARYLALKYLUREA WARNER-LAMBERT COMPANY (US) 1990-08-14 — — US claimed
EP-0335375-A2 Antihyperlipidemic and antiatherosclerotic compounds and compositions WARNER-LAMBERT COMPANY (US) 1989-10-04 — — EP claimed
US-4053626-A CHOLESTEROL LEVEL-LOWERING PHENOXYACETIC ACIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-10-11 — — US claimed

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-20210198267-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA2B ITGB2 1931/4885ICAM1 4710/4885ITGAL 2925/4885
US-20160115131-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A ITGB2 4511/4885ICAM1 4505/4885ITGAL 4316/4885
US-20200109167-A1 SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME DCUN1D2, CLN6, CAPNS1 ITGB2 3691/4885ICAM1 2857/4885ITGAL 4129/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 ITGB2 4395/4885ICAM1 3690/4885ITGAL 4600/4885

“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.