SCHEMBL1202773

SCHEMBL1202773

O=C(Nc1ccc(CO)cc1)c1cnc2ccc(Nc3ccc(F)cc3)nn12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 0.51
NTRK1 P04629 3/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MKNK1 Q9BUB5 5/20 0.41
ALDH1A1 P00352 1/20 0.41
KCNH2 Q12809 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
TGFBR1 P36897 1/20 0.39
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1202338 0.90 FYN (0.66) FYNNTRK1NTRK3NTRK2MEN1
SCHEMBL1203922 0.88 PIM1 (0.46) FYNNTRK1PIM1MKNK1ALDH1A1
SCHEMBL1202971 0.87 CCNA2 (0.51) FYNMEN1KMT2AMAPTMKNK1
SCHEMBL1203165 0.87 MKNK1 (0.49) FYNNTRK1MAPTMAPK1NPSR1
SCHEMBL1203232 0.87 CLK1 (0.46) FYNMEN1KMT2AMAPTALDH1A1
SCHEMBL1203006 0.84 ALDH1A1 (0.42) FYNMEN1KMT2AMAPTMAPK1
SCHEMBL1203100 0.81 PIM1 (0.66) FYNNTRK1NTRK3NTRK2PIM1
SCHEMBL1203816 0.81 CXCR1 (0.52) FYNNTRK1NTRK3NTRK2MEN1
SCHEMBL2905619 0.81 KCNH2 (0.47) FYNNTRK1MEN1KMT2APIM1
SCHEMBL1202745 0.81 MKNK1 (0.56) FYNMEN1KMT2AMAPTMKNK1

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.