SCHEMBL3725854

SCHEMBL3725854

Cc1cc(-c2nc3ccc(N4CCN(C=O)CC4)nn3c2I)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 5/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
HSD17B10 Q99714 4/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 5/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RIPK3 Q9Y572 6/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3723007 0.83 RIPK3 (0.43) NPC1KDM4EALDH1A1CASP1CASP7
SCHEMBL3722820 0.77 KDM4E (0.38) NPC1KDM4EALDH1A1CASP1CASP7
SCHEMBL3724142 0.68 CSNK1E (0.54) RIPK3
SCHEMBL15124156 0.67 CSNK1E (0.50) RIPK3
SCHEMBL20120083 0.64 HPGD (0.39) NPC1KDM4EHSD17B10MAPTTP53
SCHEMBL20119749 0.64 DYRK1A (0.51)
SCHEMBL477169 0.64 KDM4E (0.58) NPC1KDM4EALDH1A1CASP1CASP7
SCHEMBL3106180 0.62 HSD17B10 (0.49) NPC1KDM4EALDH1A1CASP1CASP7
SCHEMBL20120142 0.61 AAK1 (0.60) ALDH1A1MAPTTP53POLB
SCHEMBL3124224 0.60 MAPT (0.50) KDM4EALDH1A1HSD17B10MAPTTP53

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 6 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
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
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
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 NPC1 4094/4885KDM4E 2051/4885ALDH1A1 2714/4885

“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.