SCHEMBL27197049

SCHEMBL27197049

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.39
▸ MAPK1 P28482 11/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ TTK P33981 1/20 0.35

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
SCHEMBL29094420 0.85 NOTUM (0.39) MAPK1KDM4E
SCHEMBL27196842 0.83 ABL1 (0.42) PIK3C3MAPK1KDM4ETTK
SCHEMBL30595575 0.83 ABL1 (0.42) PIK3C3MAPK1KDM4ETTK
SCHEMBL27197026 0.81 ABL1 (0.50) —
SCHEMBL27196990 0.79 ABL1 (0.50) MEN1KMT2A
SCHEMBL27197253 0.79 ABL1 (0.49) —
SCHEMBL29776305 0.77 DYRK1A (0.53) —
SCHEMBL29776474 0.77 DYRK1A (0.52) —
SCHEMBL27197104 0.77 DYRK1A (0.52) —
SCHEMBL27197127 0.77 DYRK1A (0.53) —

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 4 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
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN claimed
US-20240124444-A1 Heterocyclic Compounds and Their Use for Parasitic Diseases CELGENE CORPORATION (US) 2024-04-18 — — US disclosed
CN-116685318-A Heterocyclic compounds and their use for parasitic diseases 细胞基因公司 2023-09-01 — — CN 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 PIK3C3 2401/4885MAPK1 1969/4885KDM4E 4423/4885

“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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