SCHEMBL1202888

SCHEMBL1202888

O=C(Nc1ccc(CO)cc1)c1cnc2ccc(N3Cc4ccc(F)cc4C3)nn12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 2/20 0.39
▸ NAMPT P43490 14/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ NTRK1 P04629 2/20 0.38

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 0.90 IRAK4 (0.41) NAMPTIRAK4NTRK1
SCHEMBL2899563 0.80 NTRK1 (0.41) IRAK4NTRK1
SCHEMBL1203002 0.78 PTPN11 (0.44) FYNIRAK4NTRK1
SCHEMBL1202773 0.77 FYN (0.51) FYNIRAK4NTRK1
SCHEMBL1203710 0.76 CLK1 (0.43) NAMPTIRAK4NTRK1
SCHEMBL1202338 0.75 FYN (0.66) FYNIRAK4NTRK1
SCHEMBL1203816 0.73 CXCR1 (0.52) FYNNTRK1
SCHEMBL1203496 0.72 PTPN11 (0.53) IRAK4
SCHEMBL1203662 0.72 NTRK1 (0.39) IRAK4NTRK1
SCHEMBL1203791 0.70 ALDH1A1 (0.46) FYN

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 403/4885NAMPT 3511/4885IRAK4 31/4885

“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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