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SCHEMBL23925375

SCHEMBL23925375

CCOC(=O)C(C(=O)OCC)c1ccc(C#N)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ GRM5 P41594 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ GPR35 Q9HC97 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.38
▸ SLC6A9 P48067 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ CYP11B1 P15538 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
SCHEMBL29974182 1.00 PDCD1 (0.43) PDCD1CD274GRM5CYP1A2GPR35
SCHEMBL25616220 0.93 PDCD1 (0.41) PDCD1CD274GRM5CYP1A2GPR35
SCHEMBL26090799 0.88 CYP11B2 (0.41) CYP1A2FFAR1FFAR4GAAMAP2K1
SCHEMBL29150011 0.86 PDCD1 (0.39) PDCD1CD274GPR35FFAR1FFAR4
SCHEMBL30154459 0.83 PDCD1 (0.40) PDCD1CD274GRM5CYP1A2GPR35
SCHEMBL23832208 0.83 PDCD1 (0.40) PDCD1CD274GRM5CYP1A2GPR35
SCHEMBL23832241 0.82 TRPV4 (0.42) PDCD1CD274GPR35GAANPSR1
SCHEMBL30154458 0.82 TRPV4 (0.42) PDCD1CD274GPR35GAANPSR1
SCHEMBL23832291 0.82 CYP11B2 (0.39) CYP1A2GAAMAP2K1SMN1; SMN2CYP11B1
SCHEMBL30154457 0.82 CYP11B2 (0.39) CYP1A2GAAMAP2K1SMN1; SMN2CYP11B1

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 PDCD1 1293/4885CD274 3042/4885GRM5 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.