SCHEMBL1203239

SCHEMBL1203239

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PIM1 P11309 1/20 0.48
NTRK1 P04629 2/20 0.44
CLK1 P49759 3/20 0.44
HIF1A Q16665 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
FFAR1 O14842 1/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2906861 0.91 FYN (0.51) FYNPIM1NTRK1CLK1HIF1A
SCHEMBL1203735 0.91 FYN (0.52) FYNPIM1NTRK1CLK1HIF1A
SCHEMBL1203328 0.91 FYN (0.55) FYNPIM1NTRK1CLK1HIF1A
SCHEMBL1202473 0.91 KDM4E (0.51) FYNKDM4EPOLBCLK1PTGDR2
SCHEMBL1202356 0.90 FYN (0.51) FYNPIM1NTRK1CLK1
SCHEMBL1203488 0.90 FYN (0.52) FYNPIM1NTRK1CLK1MEN1
SCHEMBL1203286 0.88 FYN (0.53) FYNKDM4EPIM1NTRK1IRAK4
SCHEMBL1202563 0.86 MEN1 (0.53) FYNKDM4EPOLBPIM1NTRK1
SCHEMBL1202234 0.85 KDM4E (0.47) KDM4EPOLBCLK1HIF1APTGDR2
SCHEMBL1203600 0.84 FYN (0.59) FYNKDM4EPIM1NTRK1CLK1

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 3 patents. 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
EP-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 WO 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 403/4885KDM4E 698/4885POLB 3471/4885

“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.