SCHEMBL3111191

SCHEMBL3111191

COc1cc(-c2c(-c3ccc(F)cc3)nc3ccc(N4CC5CC4CN5C(C)C)nn23)ccn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 9/20 0.50
ADORA2A P29274 1/20 0.35
MAPK13 O15264 3/20 0.35
MAPK12 P53778 3/20 0.35
MAPK11 Q15759 3/20 0.35
MAPK14 Q16539 3/20 0.35
MAP3K12 Q12852 1/20 0.35
PDE10A Q9Y233 1/20 0.34
CSNK1D P48730 1/20 0.33
KIT P10721 1/20 0.33
BRAF P15056 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
GRM5 P41594 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
SCHEMBL3122428 0.85 CSNK1E (0.48) CSNK1EADORA2AMAPK13MAPK12MAPK11
SCHEMBL3356262 0.84 CSNK1E (0.54) CSNK1EMAPK13MAPK12MAPK11MAPK14
SCHEMBL3121793 0.83 CSNK1E (0.74) CSNK1EADORA2AMAPK13MAPK12MAPK11
SCHEMBL3116920 0.81 CSNK1E (0.49) CSNK1EADORA2AMAPK13MAPK12MAPK11
SCHEMBL3108637 0.80 CSNK1E (0.49) CSNK1EADORA2AMAPK13MAPK12MAPK11
SCHEMBL3113222 0.79 CSNK1E (0.62) CSNK1ECSNK1DKIT
SCHEMBL3110437 0.78 CSNK1E (0.54) CSNK1EMAPK13MAPK12MAPK11MAPK14
SCHEMBL3113102 0.78 CSNK1E (0.60) CSNK1EADORA2AMAPK13MAPK12MAPK11
SCHEMBL3117147 0.78 CSNK1E (0.51) CSNK1EADORA2AMAPK13MAPK12MAPK11
SCHEMBL3113093 0.78 CSNK1E (0.60) CSNK1EADORA2AMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP claimed
US-8846676-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-09-30 US claimed
US-8354405-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US claimed
US-20130012516-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-01-10 US claimed
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-15 US claimed
EP-2170889-B1 6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP disclosed
US-8846676-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8354405-B2 6-cycloamino-3-(pyrid-4-yl)imidazo[1,2-b]pyridazine derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-15 US disclosed
US-20130012516-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-01-10 US disclosed
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-15 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 (2 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-20130012516-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, DHFR, IL4I1 CSNK1E 555/4885ADORA2A 52/4885MAPK13 4187/4885
US-20100179154-A1 6-CYCLOAMINO-3-(PYRID-4-YL)IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, DHFR, IL4I1 CSNK1E 555/4885ADORA2A 52/4885MAPK13 4187/4885

“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.