SCHEMBL26835001

SCHEMBL26835001

Nc1n[nH]c2nc(C3CC4CCC3C4)ccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 1/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ TYK2 P29597 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ AURKA O14965 2/20 0.34
▸ PDPK1 O15530 2/20 0.34
▸ TGFBR1 P36897 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ GHSR Q92847 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PBK Q96KB5 3/20 0.30

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
SCHEMBL26834965 0.78 PDPK1 (0.32) JAK2JAK3AURKAPDPK1TGFBR1
SCHEMBL26675403 0.78 PDPK1 (0.33) JAK2JAK3AURKAPDPK1TGFBR1
SCHEMBL26675400 0.78 PDPK1 (0.32) JAK2JAK3AURKAPDPK1TGFBR1
SCHEMBL26834939 0.78 PDPK1 (0.33) JAK2JAK3AURKAPDPK1TGFBR1
SCHEMBL26675350 0.76 ILK (0.38) JAK2JAK3AURKAPDPK1TGFBR1
SCHEMBL26675371 0.74 AURKA (0.30) AURKAPDPK1TGFBR1ROCK1AURKB
SCHEMBL26675440 0.73 PDPK1 (0.38) JAK2AURKAPDPK1TGFBR1ROCK1
SCHEMBL26675448 0.73 PDPK1 (0.40) TRPV3AURKAPDPK1TGFBR1ROCK1
SCHEMBL26834986 0.71 PDPK1 (0.36) JAK2JAK3AURKAPDPK1TGFBR1
SCHEMBL26675353 0.68 AOC3 (0.32) JAK2JAK3AURKAPDPK1TGFBR1

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 1 patent. 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

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 TRPV3 695/4885JAK2 1051/4885JAK1 835/4885

“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.

Send feedback