SCHEMBL23925490

SCHEMBL23925490

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
NPC1 O15118 2/20 0.38
GAA P10253 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MMP8 P22894 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.35
MAPK1 P28482 1/20 0.34
ALOX15 P16050 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL25616249 0.92 GAA (0.41) LMNACYP1A2CYP3A4MAOANPC1
SCHEMBL1477896 0.86 MAPT (0.39) LMNACYP1A2NPC1GAANPSR1
SCHEMBL23944802 0.86 MMP8 (0.42) LMNACYP1A2NPC1NPSR1MMP8
SCHEMBL4477937 0.84 CA12 (0.46) CYP3A4GAAMMP8KDM4ESMN1; SMN2
SCHEMBL23944803 0.83 MMP8 (0.37) LMNACYP1A2NPC1GAANPSR1
SCHEMBL1462180 0.81 CYP3A4 (0.43) CYP3A4NPC1GAAMMP8ALDH1A1
SCHEMBL23925394 0.79 GPR35 (0.43) CYP1A2GAANPSR1MMP8ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL8019960 0.79 GAA (0.47) LMNACYP1A2GAANPSR1MMP8
SCHEMBL6068388 0.79 MAPT (0.36) LMNACYP1A2CYP3A4NPC1NPSR1
SCHEMBL6903329 0.79 NLRP3 (0.46) CYP1A2NPC1GAAMMP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653442-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-26 EP disclosed
WO-2024153202-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS 中国科学院上海有机化学研究所 2024-07-25 WO disclosed
CN-118359616-A Polycyclic compounds as therapeutic agents for neurological diseases and tumors 中国科学院上海有机化学研究所 2024-07-19 CN 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
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 LMNA 1590/4885CYP1A2 4590/4885CYP3A4 3997/4885

“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.