SCHEMBL1203306

SCHEMBL1203306

CN1CCN(c2ccc(CNc3ccc4ncc(C(=O)Nc5ccc(O)cc5)n4n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.49
JAK1 P23458 4/20 0.48
PIM1 P11309 1/20 0.46
EGFR P00533 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NTRK1 P04629 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
MAPT P10636 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
FYN P06241 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
JAK2 O60674 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 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
SCHEMBL1202810 0.92 JAK3 (0.49) JAK3JAK1PIM1EGFRNTRK1
SCHEMBL1203612 0.88 PIM1 (0.56) PIM1NTRK1IRAK4FYNJAK2
SCHEMBL2905914 0.85 JAK3 (0.46) JAK3JAK1PIM1NTRK1HRH4
SCHEMBL1203100 0.83 PIM1 (0.66) PIM1NTRK1IRAK4FYN
SCHEMBL1202920 0.83 PIM1 (0.53) PIM1NTRK1IRAK4FYNJAK2
SCHEMBL1203328 0.83 FYN (0.55) PIM1NTRK1FYN
SCHEMBL1202909 0.80 PIM1 (0.48) PIM1NTRK1IRAK4FYN
SCHEMBL1203685 0.79 NTRK1 (0.54) PIM1NTRK1FYN
SCHEMBL1202812 0.79 PIM1 (0.49) PIM1NTRK1IRAK4FYN
SCHEMBL1202873 0.79 FYN (0.51) PIM1RAB9ANTRK1MAPTFYN

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 JAK3 16/4885JAK1 10/4885PIM1 1/4885

“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.