SCHEMBL27196808

SCHEMBL27196808

O=C(Nc1cc2[nH]c(C(F)(F)F)cc2cn1)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.48
▸ DYRK1A Q13627 5/20 0.47
▸ GSK3B P49841 4/20 0.47
▸ WNT1 P04628 3/20 0.47
▸ CLK2 P49760 1/20 0.45
▸ CLK3 P49761 1/20 0.45
▸ MAPK8 P45983 2/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ MAPK14 Q16539 2/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL27197026 0.92 ABL1 (0.50) ABL1
SCHEMBL27196990 0.90 ABL1 (0.50) ABL1
SCHEMBL27197253 0.90 ABL1 (0.49) ABL1
SCHEMBL27197104 0.84 DYRK1A (0.52) ABL1DYRK1AGSK3BWNT1
SCHEMBL29776474 0.84 DYRK1A (0.52) ABL1DYRK1AGSK3BWNT1
SCHEMBL29776336 0.81 MAPK1 (0.42) MAPK14MAPK1
SCHEMBL27197214 0.81 MAPK1 (0.42) MAPK14MAPK1
SCHEMBL27197013 0.79 ABL1 (0.50) ABL1DYRK1AGSK3BWNT1
SCHEMBL29094420 0.79 NOTUM (0.39) ABL1DYRK1AGSK3BMAPK1
SCHEMBL24605603 0.77 ABL1 (0.55) ABL1DYRK1AGSK3BWNT1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 — — US claimed
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 — — EP claimed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN claimed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 — — WO claimed
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 — — US disclosed
EP-4267131-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2023-11-01 — — EP disclosed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN disclosed
WO-2022146920-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR PARASITIC DISEASES CELGENE CORPORATION (US) 2022-07-07 — — 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-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CYP11B2, CYP11B1, CYP8B1 ABL1 1664/4885DYRK1A 1850/4885GSK3B 106/4885

“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.

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