SCHEMBL1202162

SCHEMBL1202162

CN(C)c1ccc(NC(=O)c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.51
PIM1 P11309 1/20 0.51
ALDH1A1 P00352 2/20 0.50
NTRK1 P04629 5/20 0.47
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
KDM4E B2RXH2 1/20 0.43
CTNNB1 P35222 2/20 0.43
TCF7L2 Q9NQB0 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
NTRK3 Q16288 2/20 0.42
NTRK2 Q16620 2/20 0.42
CACNA1H O95180 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1I Q9P0X4 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
SCHEMBL1203780 0.89 FYN (0.53) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1203131 0.89 FYN (0.53) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1202338 0.88 FYN (0.66) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1203100 0.88 PIM1 (0.66) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1203006 0.87 ALDH1A1 (0.42) FYNALDH1A1IRAK4CACNA1HMKNK1
SCHEMBL1203488 0.87 FYN (0.52) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1203286 0.87 FYN (0.53) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1203737 0.84 CTNNB1 (0.46) ALDH1A1CTNNB1TCF7L2
SCHEMBL1202810 0.83 JAK3 (0.49) FYNPIM1ALDH1A1NTRK1CXCR1
SCHEMBL1203612 0.83 PIM1 (0.56) FYNPIM1ALDH1A1NTRK1CXCR1

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 1/4885ALDH1A1 2356/4885

“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.