SCHEMBL26675309

SCHEMBL26675309

Nc1nn(C(=O)c2ccccc2OC(F)F)c2nc(C3CC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 6/20 0.41
▸ HCRTR1 O43613 5/20 0.41
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ TTR P02766 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 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
SCHEMBL29768230 1.00 HCRTR2 (0.41) HCRTR2HCRTR1MAPTSMN1; SMN2HTT
SCHEMBL26675432 0.87 ALOX15 (0.48) MAPTSMN1; SMN2HTTTP53PKM
SCHEMBL30600508 0.83 ALOX15 (0.47) MAPTSMN1; SMN2HTTTP53PKM
SCHEMBL26675308 0.83 ALOX15 (0.47) MAPTSMN1; SMN2HTTTP53PKM
Trifluoroacetic Acid SCHEMBL26675303 0.83 ALOX15 (0.45) HCRTR2MAPTSMN1; SMN2HTTTP53
SCHEMBL26675338 0.81 ENPP3 (0.42) MAPTSMN1; SMN2HTTTP53PKM
SCHEMBL26675343 0.79 MAPT (0.40) HCRTR2HCRTR1MAPTSMN1; SMN2HTT
SCHEMBL30600499 0.79 MAPT (0.40) HCRTR2HCRTR1MAPTSMN1; SMN2HTT
SCHEMBL30600523 0.79 MAPT (0.49) HCRTR2HCRTR1MAPTSMN1; SMN2HTT
SCHEMBL26675424 0.79 MAPT (0.49) HCRTR2HCRTR1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP claimed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US claimed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 — — WO claimed
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 — — US disclosed
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP disclosed
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
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 — — 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 HCRTR2 1503/4885HCRTR1 972/4885MAPT 3058/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B HCRTR2 2462/4885HCRTR1 3185/4885MAPT 2409/4885

“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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