SCHEMBL1203710

SCHEMBL1203710

COc1ccc2c(c1)CN(c1ccc3ncc(C(=O)Nc4ccc(O)cc4)n3n1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.43
▸ NAMPT P43490 5/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ AR P10275 1/20 0.39
▸ IRAK4 Q9NWZ3 3/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ NTRK1 P04629 1/20 0.38
▸ GPX4 P36969 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL1202738 0.86 IRAK4 (0.41) NAMPTIRAK4NTRK1ALDH1A1MAPT
SCHEMBL1203652 0.85 MEN1 (0.43) TDP1GPX4MEN1ALDH1A1LMNA
SCHEMBL2900291 0.83 TIPARP (0.41) NAMPTTDP1IRAK4ROCK2ALDH1A1
SCHEMBL1203223 0.82 KMT2A (0.46) TDP1MEN1ALDH1A1LMNAMAPT
SCHEMBL1203002 0.78 PTPN11 (0.44) IRAK4NTRK1ALDH1A1MAPT
SCHEMBL1203613 0.77 CLK1 (0.48) CLK1MEN1ALDH1A1LMNAMAPT
SCHEMBL1202888 0.76 FYN (0.39) NAMPTIRAK4NTRK1
SCHEMBL1203328 0.73 FYN (0.55) CLK1NTRK1HIF1A
SCHEMBL1203562 0.72 MAPT (0.41) MEN1LMNAMAPTKMT2A
SCHEMBL1203496 0.72 PTPN11 (0.53) IRAK4ALDH1A1MAPT

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 CLK1 792/4885NAMPT 3511/4885TDP1 1364/4885

“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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