SCHEMBL1203735

SCHEMBL1203735

COc1ccc(CNc2ccc3ncc(C(=O)Nc4ccc(NC(C)=O)cc4)n3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 8/20 0.52
PIM1 P11309 1/20 0.49
NTRK1 P04629 2/20 0.46
CLK1 P49759 3/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK1 P28482 1/20 0.42

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 0.92 FYN (0.55) FYNPIM1NTRK1CLK1HDAC1
SCHEMBL1203488 0.91 FYN (0.52) FYNPIM1NTRK1CLK1ALDH1A1
SCHEMBL1203239 0.91 FYN (0.51) FYNPIM1NTRK1CLK1HDAC1
SCHEMBL2906861 0.91 FYN (0.51) FYNPIM1NTRK1CLK1ALDH1A1
SCHEMBL1203131 0.88 FYN (0.53) FYNPIM1NTRK1ALDH1A1MAPT
SCHEMBL1202563 0.87 MEN1 (0.53) FYNPIM1NTRK1ALDH1A1MAPT
SCHEMBL1202366 0.87 DYRK3 (0.49) FYNCLK1ALDH1A1MAPTHTT
SCHEMBL1203065 0.84 PPARA (0.54) FYNPIM1NTRK1HDAC1
SCHEMBL1203612 0.84 PIM1 (0.56) FYNPIM1NTRK1ALDH1A1HIF1A
SCHEMBL1203600 0.84 FYN (0.59) FYNPIM1NTRK1CLK1

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 403/4885PIM1 1/4885NTRK1 755/4885

“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.