SCHEMBL29438436

SCHEMBL29438436

Nc1[nH]ncc1C(=O)Nc1ccc(F)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.62
▸ AHR P35869 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ MAOB P27338 3/20 0.56
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CDK2 P24941 1/20 0.47
▸ FADS1 O60427 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ AURKA O14965 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ AKR1C3 P42330 1/20 0.44

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
SCHEMBL29438417 0.84 CDK2 (0.65) GAAAHRHSD17B10RAB9ANPC1
SCHEMBL29438464 0.82 GAA (0.71) GAAAHRHSD17B10RAB9ANPC1
SCHEMBL29438425 0.81 HSP90AA1 (0.57) GAAAHRHSD17B10RAB9ANPC1
SCHEMBL29438452 0.81 GAA (0.58) GAAAHRHSD17B10MAOBRAB9A
SCHEMBL29438423 0.81 GAA (0.58) GAAAHRHSD17B10MAOBRAB9A
SCHEMBL29438424 0.80 GAA (0.56) GAAAHRHSD17B10MEN1KMT2A
SCHEMBL29438421 0.78 GAA (0.55) GAAAHRHSD17B10RAB9ANPC1
SCHEMBL3421414 0.78 HSD17B10 (0.65) GAAAHRHSD17B10RAB9ANPC1
SCHEMBL29438443 0.78 GAA (0.55) GAAAHRHSD17B10RAB9ANPC1
SCHEMBL29438428 0.78 GAA (0.69) GAAAHRHSD17B10MAOBRAB9A

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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