SCHEMBL477171

SCHEMBL477171

COc1cc(-c2c(C)nc3ccc(N4CC5CNCC5C4)nn23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.49
PDE10A Q9Y233 2/20 0.41
LRRK2 Q5S007 2/20 0.34
CLK2 P49760 1/20 0.34
DYRK1A Q13627 1/20 0.34
HASPIN Q8TF76 1/20 0.34
SMPD3 Q9NY59 3/20 0.34
RIPK3 Q9Y572 1/20 0.33
ACVR2A P27037 1/20 0.33
TGFBR2 P37173 1/20 0.33
CHRNA7 P36544 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PIM1 P11309 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 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
SCHEMBL477160 0.89 CSNK1E (0.54) CSNK1EPDE10ACLK2DYRK1AHASPIN
SCHEMBL477000 0.86 CSNK1E (0.51) CSNK1ECLK2DYRK1AHASPINRIPK3
SCHEMBL3121701 0.85 CSNK1E (0.52) CSNK1EPDE10ARIPK3
SCHEMBL477028 0.84 CSNK1E (0.52) CSNK1ECLK2DYRK1AHASPINRIPK3
SCHEMBL477026 0.84 CSNK1E (0.49) CSNK1ECLK2DYRK1AHASPINRIPK3
SCHEMBL477112 0.83 CSNK1E (0.69) CSNK1ECLK2DYRK1AHASPINRIPK3
SCHEMBL477007 0.83 CSNK1E (0.55) CSNK1EPDE10ASMPD3
SCHEMBL477009 0.83 CSNK1E (0.55) CSNK1EPDE10ASMPD3
SCHEMBL477016 0.83 CSNK1E (0.55) CSNK1EPDE10ASMPD3
SCHEMBL477088 0.78 CSNK1E (0.46) CSNK1ERIPK3

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 4 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
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 CSNK1E 2760/4885PDE10A 3179/4885LRRK2 3953/4885

“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.