SCHEMBL477167

SCHEMBL477167

CNc1cc(-c2c(C)nc3ccc(N4C[C@@H](C)N[C@@H](C)C4)nn23)ccn1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 7/20 0.50
NMT1 P30419 2/20 0.40
PRKD1 Q15139 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35
RIPK3 Q9Y572 4/20 0.34
MAPT P10636 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.34
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
HASPIN Q8TF76 1/20 0.33
MAP3K7 O43318 2/20 0.33

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
SCHEMBL477166 1.00 CSNK1E (0.50) CSNK1ENMT1PRKD1ROCK2ROCK1
SCHEMBL477157 0.90 CSNK1E (0.55) CSNK1ENMT1PRKD1ROCK2ROCK1
SCHEMBL477156 0.90 CSNK1E (0.55) CSNK1ENMT1PRKD1ROCK2ROCK1
SCHEMBL477071 0.89 CSNK1E (0.52) CSNK1ENMT1RIPK3EIF2AK4CLK2
SCHEMBL477069 0.89 CSNK1E (0.52) CSNK1ENMT1RIPK3EIF2AK4CLK2
SCHEMBL477028 0.87 CSNK1E (0.52) CSNK1EROCK2ROCK1CDC42BPBRIPK3
SCHEMBL477052 0.86 CSNK1E (0.49) CSNK1ENMT1RIPK3EIF2AK4CLK2
SCHEMBL477051 0.86 CSNK1E (0.49) CSNK1ENMT1RIPK3EIF2AK4CLK2
SCHEMBL477128 0.85 CSNK1E (0.44) CSNK1ENMT1PRKD1RIPK3EIF2AK4
SCHEMBL477165 0.84 CSNK1E (0.47) CSNK1ENMT1RIPK3EIF2AK4CLK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312934-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-12-22 US claimed
EP-2331546-B1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-20110312934-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-12-22 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-20110312934-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF NR3C1, CNKSR1, NR3C2 CSNK1E 2760/4885NMT1 4192/4885PRKD1 4214/4885

“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.