SCHEMBL1745964

SCHEMBL1745964

Brc1nc2cccnn2c1I

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.48
MKNK1 Q9BUB5 1/20 0.35
PDE4B Q07343 14/20 0.33
PDE4D Q08499 14/20 0.33
PDE4C Q08493 11/20 0.33
DYRK1A Q13627 1/20 0.33
PDE10A Q9Y233 1/20 0.32
AHR P35869 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31

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
SCHEMBL456971 0.80 MKNK1 (0.37) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL31165789 0.77 PDE4A (0.48) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL17121438 0.77 PDE4A (0.48) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL22189751 0.73 AKT1 (0.48) PDE4APDE4BPDE4DPDE4CAKT1
SCHEMBL12196972 0.73 PDE4A (0.48) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL1746576 0.72 MKNK1 (0.49) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL15767249 0.72 PDE4A (0.43) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL2066630 0.70 CA1 (0.36) PDE4AMKNK1PDE4BPDE4DPDE4C
SCHEMBL2068562 0.70 PDE4B (0.35) PDE4APDE4BPDE4DPDE4C
SCHEMBL14781543 0.69 PDE4A (0.48) PDE4AMKNK1PDE4BPDE4DPDE4C

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-20130190314-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-07-25 US disclosed
EP-2385946-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND TUERAPEUTIC APPLICATION THEREOF SANOFI (FR) 2011-11-16 EP disclosed
US-8040450-B2 Liquid crystal electro-optic device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-10-18 US disclosed
WO-2010070238-A1 DERIVATIVES OF 6-CYCLOAMINO-2,3-DI-PYRIDINYL-IMIDAZO[1,2-B]-PYRIDAZINE, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-06-24 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-20130190314-A1 DERIVATIVES OF 6-CYCLOAMINO-2-THIENYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE AND 6-CYCLOAMINO-2-FURANYL-3-(PYRIDIN-4-YL)IMIDAZO[1,2-b]-PYRIDAZINE, PREPARATION AND THERAPEUTIC USE THEREOF CSNK2A1, CSNK1A1, CSNK2A2 PDE4A 1427/4885MKNK1 200/4885PDE4B 1623/4885

“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.