SCHEMBL1203857

SCHEMBL1203857

O=C(Nc1cccc(CO)c1)c1cnc2ccc(NCc3ccc(F)cc3)nn12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 6/20 0.57
▸ NTRK1 P04629 8/20 0.55
▸ NTRK3 Q16288 5/20 0.55
▸ NTRK2 Q16620 5/20 0.55
▸ CNR2 P34972 1/20 0.52
▸ PIM1 P11309 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.44
▸ CXCR1 P25024 1/20 0.43
▸ CXCR2 P25025 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL1202289 0.91 NTRK1 (0.53) FYNNTRK1NTRK3NTRK2CNR2
SCHEMBL1202642 0.90 PIM1 (0.56) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1202338 0.89 FYN (0.66) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1202730 0.87 NTRK1 (0.55) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1203403 0.86 NTRK1 (0.50) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1202933 0.84 NTRK1 (0.51) FYNNTRK1PIM1KDM4EALDH1A1
SCHEMBL1203100 0.84 PIM1 (0.66) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1203131 0.83 FYN (0.53) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1203780 0.83 FYN (0.53) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1203286 0.82 FYN (0.53) FYNNTRK1NTRK3NTRK2PIM1

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 755/4885NTRK3 756/4885

“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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