SCHEMBL1203652

SCHEMBL1203652

COc1ccc2c(c1)CN(c1ccc3ncc(C(=O)Nc4cccc(S(C)(=O)=O)c4)n3n1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ FYN P06241 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL1203710 0.85 CLK1 (0.43) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL1203223 0.84 KMT2A (0.46) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL1203859 0.80 KCNH2 (0.52) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL2900291 0.79 TIPARP (0.41) MAPTHPGDALDH1A1FYNGAA
SCHEMBL1202948 0.78 PIM1 (0.50) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL1203002 0.76 PTPN11 (0.44) MAPTALDH1A1RAB9ANPC1FYN
SCHEMBL1203562 0.73 MAPT (0.41) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL1203495 0.73 ALDH1A1 (0.43) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL1202738 0.71 IRAK4 (0.41) MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL1203496 0.70 PTPN11 (0.53) MAPTALDH1A1RAB9ANPC1SMN1; SMN2

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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-02-24 — — 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-20110046127-A1 Imidazopyridazines for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 MEN1 2279/4885KMT2A 1247/4885LMNA 2416/4885

“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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