SCHEMBL3111978

SCHEMBL3111978

Cc1cc(N2C[C@H]3CN(C)C[C@H]3C2)nn2c(-c3ccnc(CN)c3)c(-c3ccc(F)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 4/20 0.38
CSNK1D P48730 2/20 0.36
MAPK14 Q16539 5/20 0.36
MAPK13 O15264 4/20 0.36
MAPK12 P53778 4/20 0.36
MAPK11 Q15759 4/20 0.36
KCNH2 Q12809 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA2A P29274 5/20 0.34
ADORA2B P29275 5/20 0.34
ADORA1 P30542 5/20 0.34
TSPO P30536 1/20 0.33
GRIA1 P42261 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL17976960 1.00 CSNK1E (0.38) CSNK1ECSNK1DMAPK14MAPK13MAPK12
SCHEMBL3105778 0.89 CSNK1E (0.40) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3111320 0.86 CSNK1E (0.50) CSNK1ECSNK1DMAPK14MAPK13MAPK12
SCHEMBL17976963 0.86 ADORA2A (0.40) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL17976975 0.86 ADORA2A (0.40) CSNK1EMAPK14MAPK13MAPK12MAPK11
SCHEMBL3117481 0.86 CSNK1E (0.51) CSNK1ECSNK1D
SCHEMBL3356082 0.84 CSNK1E (0.40) CSNK1ECSNK1DMAPK14ADORA2AADORA2B
SCHEMBL3104309 0.83 CSNK1E (0.38) CSNK1ECSNK1DMAPK14MAPK13MAPK12
SCHEMBL1393692 0.78 MAPK14 (0.47) CSNK1ECSNK1DMAPK14MAPK11
SCHEMBL1393694 0.78 MAPK14 (0.47) CSNK1ECSNK1DMAPK14MAPK11

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 8 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-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
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 555/4885CSNK1D 507/4885MAPK14 4464/4885
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 555/4885CSNK1D 507/4885MAPK14 4464/4885

“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.