SCHEMBL29438441

SCHEMBL29438441

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.64
▸ AHR P35869 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ TMPRSS4 Q9NRS4 1/20 0.57
▸ KDR P35968 5/20 0.56
▸ GRM4 Q14833 1/20 0.55
▸ PDK1 Q15118 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ FGFR2 P21802 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ BRAF P15056 2/20 0.49
▸ CDK8 P49336 1/20 0.49
▸ EPAS1 Q99814 1/20 0.48

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
SCHEMBL29438413 0.80 HSD17B10 (0.73) GAAAHRHSD17B10TMPRSS4HTT
SCHEMBL23853488 0.78 GAA (1.00) GAAAHRHSD17B10KDRMEN1
SCHEMBL29438459 0.78 GAA (1.00) GAAAHRHSD17B10KDRMEN1
SCHEMBL29438425 0.78 HSP90AA1 (0.57) GAAAHRHSD17B10HTTKMT2A
SCHEMBL5665935 0.78 FADS1 (0.66) GAATMPRSS4KDRGRM4PDK1
SCHEMBL29438436 0.77 GAA (0.62) GAAAHRHSD17B10MEN1HTT
SCHEMBL6203625 0.77 GAA (0.61) GAAAHRHSD17B10TMPRSS4EPAS1
SCHEMBL31070247 0.76 KDR (0.56) TMPRSS4KDRGRM4RAF1PDGFRB
SCHEMBL29438417 0.75 CDK2 (0.65) GAAAHRHSD17B10MEN1HTT
SCHEMBL29438453 0.75 GAA (0.59) GAAAHRHSD17B10HTTRAB9A

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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