Sugi Predict

Sugi Predict / Compounds / SCHEMBL23925394

SCHEMBL23925394

SCHEMBL23925394

CCOC(=O)C(C(=O)OCC)c1c(F)cc(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.43
▸ HTT P42858 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ GAA P10253 4/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL25616218 0.93 GPR35 (0.40) GPR35HTTGRM5PDCD1CD274
SCHEMBL23944802 0.82 MMP8 (0.42) MAPTNPSR1CYP1A2MMP8KMT2A
SCHEMBL1477896 0.82 MAPT (0.39) MAPTNPSR1CYP1A2GAAMMP8
SCHEMBL29974182 0.81 PDCD1 (0.43) GPR35GRM5PDCD1CD274MAPT
SCHEMBL23925375 0.81 PDCD1 (0.43) GPR35GRM5PDCD1CD274MAPT
SCHEMBL4477937 0.80 CA12 (0.46) GAAMMP8KDM4ESMN1; SMN2
SCHEMBL23944803 0.79 MMP8 (0.37) HTTMAPTNPSR1CYP1A2GAA
SCHEMBL23925490 0.79 LMNA (0.40) MAPTNPSR1CYP1A2GAAMMP8
SCHEMBL1462180 0.78 CYP3A4 (0.43) HTTGAAMMP8KMT2ASMN1; SMN2
SCHEMBL25616220 0.77 PDCD1 (0.41) GPR35GRM5PDCD1CD274MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 — — US disclosed
US-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-06-01 — — US disclosed
EP-4136089-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES The Trustees of The University of Pennsylvania (US) 2023-02-22 — — EP disclosed
CN-115397826-A Substituted {1,2,4, } triazolo {1,5-a } pyrimidine compounds and their use for the stabilization of microtubules 宾夕法尼亚大学理事会 2022-11-25 — — CN disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 — — WO disclosed
WO-2021211408-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2021-10-21 — — 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 (1 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-20230167121-A1 SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES MAPT, TUBA4A, MAP4 GPR35 3155/4885HTT 118/4885GRM5 1282/4885

“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.