SCHEMBL1203391

SCHEMBL1203391

CC(=O)Nc1ccc(NC(=O)c2cnc3cc(C)c(NCc4ccc(F)cc4)nn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
P4HTM Q9NXG6 1/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
CTNNB1 P35222 13/20 0.43
TCF7L2 Q9NQB0 13/20 0.43
MAPK8 P45983 1/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDPK1 O15530 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
SCHEMBL1203791 0.93 ALDH1A1 (0.46) ALDH1A1P4HTMMAPTCTNNB1TCF7L2
SCHEMBL1202844 0.93 CTNNB1 (0.47) ALDH1A1P4HTMMAPTCTNNB1TCF7L2
SCHEMBL1202030 0.91 ALDH1A1 (0.44) ALDH1A1P4HTMMAPTCTNNB1TCF7L2
SCHEMBL1203737 0.90 CTNNB1 (0.46) ALDH1A1CTNNB1TCF7L2
SCHEMBL1203789 0.84 NPC1 (0.48) ALDH1A1MAPTCTNNB1TCF7L2
SCHEMBL1202935 0.84 P4HTM (0.47) P4HTMMAPTTP53
SCHEMBL1203131 0.83 FYN (0.53) ALDH1A1P4HTMMAPTTP53CXCR1
SCHEMBL1204006 0.83 CTNNB1 (0.41) ALDH1A1MAPTCTNNB1TCF7L2NPSR1
SCHEMBL1203647 0.83 FLT1 (0.41) ALDH1A1MAPTTP53
SCHEMBL1203106 0.82 NTRK1 (0.49) MAPTCXCR1CXCR2

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 ALDH1A1 2356/4885P4HTM 1284/4885MAPT 3988/4885

“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.