SCHEMBL3728865

SCHEMBL3728865

c1csc(-c2nc3ccc(N4CCC5(CCCNC5)CC4)nn3c2-c2ccncc2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 8/20 0.56
CSNK1E P49674 9/20 0.49
KCNH2 Q12809 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HASPIN Q8TF76 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3123892 0.87 CSNK1E (0.64) RIPK3CSNK1EHASPINALDH1A1CYP3A4
SCHEMBL3719615 0.87 RIPK3 (0.56) RIPK3CSNK1EKCNH2HDAC1HDAC2
SCHEMBL13351193 0.85 RIPK3 (0.65) RIPK3CSNK1EHASPIN
SCHEMBL3119961 0.84 CSNK1E (0.65) RIPK3CSNK1E
SCHEMBL477090 0.82 CSNK1E (0.70) RIPK3CSNK1EALDH1A1CYP3A4HPGD
SCHEMBL3121002 0.82 CSNK1E (0.53) RIPK3CSNK1EHASPINALDH1A1CYP3A4
SCHEMBL3108614 0.80 CSNK1E (0.61) RIPK3CSNK1EHASPIN
SCHEMBL3115962 0.79 CSNK1E (0.68) RIPK3CSNK1EALDH1A1CYP3A4HPGD
SCHEMBL3112007 0.78 CSNK1E (0.67) RIPK3CSNK1E
SCHEMBL477103 0.77 CSNK1E (0.64) RIPK3CSNK1EKCNH2ALDH1A1CYP3A4

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 3 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-2398802-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 APPLICATION THEREOF SANOFI (FR) 2011-12-28 EP disclosed
WO-2010070237-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 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 RIPK3 1086/4885CSNK1E 11/4885KCNH2 1186/4885

“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.