SCHEMBL22889914

SCHEMBL22889914

COC(=O)c1c(C)cc(C#N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.44
▸ ACHE P22303 1/20 0.44
▸ HPGD P15428 4/20 0.41
▸ CISD2 Q8N5K1 1/20 0.40
▸ CYP11B2 P19099 2/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GPR35 Q9HC97 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GLO1 Q04760 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ AR P10275 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 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
SCHEMBL18006803 0.90 GPR35 (0.41) CYP3A4ACHEHPGDCISD2CYP11B2
SCHEMBL16790431 0.88 CYP3A4 (0.50) CYP3A4ACHEHPGDCISD2POLB
SCHEMBL1706696 0.83 JAK2 (0.42) CISD2CYP11B2CYP11B1GPR35MEN1
SCHEMBL22890471 0.81 FFAR1 (0.39) CYP3A4ACHEGPR35ALDH1A1SMN1; SMN2
SCHEMBL17831139 0.78 CYP3A4 (0.50) CYP3A4ACHEHPGDCISD2POLB
SCHEMBL30373084 0.77 ALDH1A1 (0.42) CYP3A4HPGDCISD2CYP11B2CYP11B1
SCHEMBL26091113 0.77 ALDH1A1 (0.42) CYP3A4HPGDCISD2CYP11B2CYP11B1
SCHEMBL16790438 0.77 CYP3A4 (0.41) CYP3A4ACHEHPGDCISD2CYP11B2
SCHEMBL22996828 0.75 CYP3A4 (0.47) CYP3A4ACHEHPGDCISD2POLB
SCHEMBL17419113 0.75 CYP3A4 (0.47) CYP3A4ACHEHPGDPOLBGPR35

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-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 — — US disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 — — US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 — — EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 — — CN disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 — — WO disclosed
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 — — 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 (2 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-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 CYP3A4 2641/4885ACHE 1318/4885HPGD 2992/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 CYP3A4 2641/4885ACHE 1318/4885HPGD 2992/4885

“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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