SCHEMBL26834617

SCHEMBL26834617

Cc1ccccc1C(=O)n1nc(N)c2ccc([C@H]3C[C@@H]3C(F)(F)F)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 2/20 0.38
▸ ALPL P05186 2/20 0.38
▸ XIAP P98170 2/20 0.38
▸ HTT P42858 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ ELANE P08246 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ITGB1 P05556 2/20 0.32
▸ ITGA5 P08648 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ PTPN5 P54829 1/20 0.32
▸ PTPN11 Q06124 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TERT O14746 1/20 0.31

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
SCHEMBL26834616 0.89 ENPP3 (0.40) ENPP3ALPLXIAPHTTMAPT
SCHEMBL26675287 0.88 ENPP3 (0.41) ENPP3ALPLXIAPHTTMAPT
SCHEMBL26834609 0.88 ENPP3 (0.41) ENPP3ALPLXIAPHTTMAPT
SCHEMBL29767965 0.88 ENPP3 (0.41) ENPP3ALPLXIAPHTTMAPT
SCHEMBL26675452 0.87 ALOX15 (0.44) HTTMAPTSMN1; SMN2TP53PKM
SCHEMBL29767948 0.87 ALOX15 (0.44) HTTMAPTSMN1; SMN2TP53PKM
SCHEMBL26675338 0.83 ENPP3 (0.42) ENPP3ALPLXIAPHTTMAPT
SCHEMBL30600505 0.82 ENPP3 (0.43) ENPP3ALPLXIAPHTTMAPT
SCHEMBL26834620 0.82 ENPP3 (0.43) ENPP3ALPLXIAPHTTMAPT
SCHEMBL29768164 0.82 ENPP3 (0.40) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 ENPP3 1560/4885ALPL 3520/4885XIAP 4154/4885

“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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