SCHEMBL1202873

SCHEMBL1202873

COc1ccc(CNc2ccc3ncc(C(=O)Nc4ccc(O)cc4)n3n2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 14/20 0.51
NTRK1 P04629 3/20 0.47
PIM1 P11309 1/20 0.45
IKBKB O14920 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1203328 0.88 FYN (0.55) FYNNTRK1PIM1
SCHEMBL1203612 0.87 PIM1 (0.56) FYNNTRK1PIM1IKBKBALDH1A1
SCHEMBL2902438 0.85 FYN (0.57) FYNNTRK1
SCHEMBL1203685 0.84 NTRK1 (0.54) FYNNTRK1PIM1
SCHEMBL1202812 0.84 PIM1 (0.49) FYNNTRK1PIM1IKBKBALDH1A1
SCHEMBL1203831 0.83 FYN (0.50) FYNNTRK1PIM1ALDH1A1MAPT
SCHEMBL1203100 0.83 PIM1 (0.66) FYNNTRK1PIM1ALDH1A1
SCHEMBL1202920 0.83 PIM1 (0.53) FYNNTRK1PIM1IKBKB
SCHEMBL1204093 0.83 NTRK1 (0.48) FYNNTRK1ALDH1A1MAPTRAB9A
SCHEMBL1203218 0.82 NTRK1 (0.49) FYNNTRK1PIM1IKBKB

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 FYN 403/4885NTRK1 755/4885PIM1 1/4885

“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.