SCHEMBL3728232

SCHEMBL3728232

O=C(O)N1CCN(c2ccc3nc(-c4cccs4)cn3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 8/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GBA1 P04062 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RIPK3 Q9Y572 1/20 0.39

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
SCHEMBL13350664 0.85 GBA1 (0.52) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3111060 0.77 MAPT (0.46) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL3724983 0.73 RIPK3 (0.64) ALDH1A1MAPTSMN1; SMN2MAPK1HPGD
SCHEMBL10768750 0.73 DPP4 (0.55) KDM4EALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL13579042 0.71 KDM4E (0.51) KDM4ELMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10769575 0.70 MAPT (0.56) KDM4ELMNAALDH1A1HTTMAPT
SCHEMBL13351196 0.70 KDM4E (0.50) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL10768758 0.69 HRH4 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3763289 0.67 FAAH (0.51) NPC1RAB9AGBA1
SCHEMBL10769280 0.67 HPGD (0.49) KDM4ELMNAALDH1A1HTTMAPT

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 KDM4E 2051/4885LMNA 2005/4885ALDH1A1 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.