SCHEMBL1203601

SCHEMBL1203601

CC(=O)Nc1ccc(NC(=O)c2cnc3ccc(NCc4ccc(F)c(Cl)c4)nn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.51
NTRK1 P04629 4/20 0.49
IKBKB O14920 10/20 0.49
FYN P06241 3/20 0.48
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
CHUK O15111 1/20 0.43
MAPK10 P53779 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
SCHEMBL1203218 0.92 NTRK1 (0.49) NTRK1IKBKBFYNHDAC3HDAC1
SCHEMBL1202966 0.92 NTRK1 (0.50) NTRK1IKBKBFYNHDAC3HDAC1
SCHEMBL1203842 0.90 NTRK1 (0.48) BRAFNTRK1IKBKBFYNNTRK3
SCHEMBL1203131 0.87 FYN (0.53) NTRK1FYNNTRK3NTRK2IRAK4
SCHEMBL1203062 0.84 FYN (0.60) NTRK1IKBKBFYNHDAC3HDAC1
SCHEMBL1202991 0.83 FYN (0.48) BRAFNTRK1IKBKBFYNNTRK3
SCHEMBL1203673 0.83 NTRK1 (0.50) NTRK1IKBKBFYNNTRK3NTRK2
SCHEMBL1202812 0.83 PIM1 (0.49) NTRK1IKBKBFYNNTRK3NTRK2
SCHEMBL1202618 0.82 FYN (0.61) NTRK1IKBKBFYNCHUKMAPK10
SCHEMBL1202657 0.82 FYN (0.72) NTRK1IKBKBFYNCHUKMAPK10

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 BRAF 12/4885NTRK1 755/4885IKBKB 297/4885

“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.