SCHEMBL30600514

SCHEMBL30600514

Cc1ccccc1C(=O)n1nc(N)c2ccc(N3CC(F)(F)C3)nc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 8/20 0.42
▸ ENPP3 O14638 2/20 0.39
▸ ALPL P05186 2/20 0.39
▸ XIAP P98170 2/20 0.39
▸ HTT P42858 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ TTR P02766 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL26675357 1.00 GBA1 (0.42) GBA1ENPP3ALPLXIAPHTT
SCHEMBL26675406 0.87 HSD17B10 (0.45) HTTMAPTSMN1; SMN2TP53PKM
SCHEMBL29767954 0.87 HSD17B10 (0.45) HTTMAPTSMN1; SMN2TP53PKM
SCHEMBL26675388 0.86 GBA1 (0.49) GBA1ENPP3ALPLXIAPHTT
SCHEMBL29767951 0.86 GBA1 (0.49) GBA1ENPP3ALPLXIAPHTT
SCHEMBL29768164 0.79 ENPP3 (0.40) GBA1ENPP3ALPLXIAPHTT
SCHEMBL26675446 0.79 ENPP3 (0.40) GBA1ENPP3ALPLXIAPHTT
SCHEMBL29767974 0.78 ENPP3 (0.41) ENPP3ALPLXIAPHTTMAPT
SCHEMBL26675306 0.78 ENPP3 (0.41) ENPP3ALPLXIAPHTTMAPT
SCHEMBL29767972 0.77 ENPP3 (0.43) ENPP3ALPLXIAPHTTMAPT

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
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN claimed
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 — — US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — 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 (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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 GBA1 510/4885ENPP3 1560/4885ALPL 3520/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B GBA1 2014/4885ENPP3 2958/4885ALPL 3830/4885

“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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