SCHEMBL476993

SCHEMBL476993

CN1CCN(c2ccc3nc(C(F)(F)F)c(-c4ccncc4)n3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 8/20 0.60
CSNK1E P49674 9/20 0.54
HASPIN Q8TF76 1/20 0.49
KDM4E B2RXH2 1/20 0.45
CSNK1D P48730 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
SCHEMBL3124431 0.84 RIPK3 (0.67) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL477085 0.83 CSNK1E (0.76) RIPK3CSNK1EHASPINKDM4E
SCHEMBL477229 0.81 CSNK1E (0.57) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL3120424 0.80 CSNK1E (0.70) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL21100909 0.79 RIPK3 (0.86) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL3111059 0.78 RIPK3 (0.70) RIPK3CSNK1EHASPINKDM4ECSNK1D
SCHEMBL15124386 0.77 RIPK3 (0.83) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL3111147 0.77 RIPK3 (0.69) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL3116515 0.77 RIPK3 (0.71) RIPK3CSNK1EHASPINCSNK1D
SCHEMBL3112554 0.76 RIPK3 (0.80) RIPK3CSNK1EHASPINCSNK1D

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 5 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
WO-2010018327-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO 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
WO-2010018327-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 WO 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 RIPK3 4284/4885CSNK1E 2760/4885HASPIN 4266/4885

“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.