SCHEMBL29438464

SCHEMBL29438464

Nc1[nH]ncc1C(=O)Nc1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.71
▸ AHR P35869 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MAP4K4 O95819 3/20 0.51
▸ CLK2 P49760 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ ROCK1 Q13464 2/20 0.51
▸ DYRK3 O43781 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ AURKB Q96GD4 4/20 0.49
▸ AURKA O14965 3/20 0.49

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
SCHEMBL29438428 0.85 GAA (0.69) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL23853488 0.83 GAA (1.00) GAAAHRHSD17B10TSHRLCK
SCHEMBL29438459 0.83 GAA (1.00) GAAAHRHSD17B10TSHRLCK
SCHEMBL29438417 0.83 CDK2 (0.65) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL3421414 0.83 HSD17B10 (0.65) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL29438436 0.82 GAA (0.62) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL29438443 0.82 GAA (0.55) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL10925145 0.80 NPC1 (0.54) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL29438444 0.78 GAA (0.51) GAAAHRHSD17B10NPC1RAB9A
SCHEMBL23854212 0.78 GAA (0.60) GAAAHRHSD17B10TSHRHPGD

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-20220064167-A1 IMIDAZO-PYRAZOLE CARBOXAMIDE DERIVATIVES AS ANTICANCER AGENTS AND THE SYNTHESIS THEREOF AVIDIN KFT. (HU) 2022-03-03 — — 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-20220064167-A1 IMIDAZO-PYRAZOLE CARBOXAMIDE DERIVATIVES AS ANTICANCER AGENTS AND THE SYNTHESIS THEREOF MYD88, MCL1, MYADM GAA 4744/4885AHR 881/4885HSD17B10 4038/4885

“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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