SCHEMBL477002

SCHEMBL477002

C1=CC(c2cn3nc(N4CCN(Cc5ccccc5)CC4)ccc3n2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CASP1 P29466 1/20 0.44
CASP5 P51878 1/20 0.44
DRD4 P21917 6/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
RET P07949 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL477001 0.79 CASP1 (0.47) DPP4NPC1RAB9ACASP1CASP5
SCHEMBL477149 0.72 RIPK3 (0.54) DPP4NPC1RAB9A
SCHEMBL10768758 0.69 HRH4 (0.51) NPC1RAB9ADRD4DRD2DRD3
SCHEMBL10766843 0.68 HPGD (0.51) NPC1RAB9ADRD4DRD2DRD3
SCHEMBL10767338 0.66 NPSR1 (0.53) NPC1RAB9ACASP1KMT2AMAPT
SCHEMBL10767996 0.66 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASIGMAR1
SCHEMBL30041979 0.65 MC4R (0.56) DPP4NPC1RAB9ACASP1CASP5
SCHEMBL14834315 0.65 DRD2 (0.58) NPC1RAB9ACASP1CASP5DRD4
SCHEMBL6231596 0.65 HRH3 (0.68) NPC1RAB9ACASP1CASP5DRD4
SCHEMBL12368189 0.64 AR (0.81) DPP4MAPTHTTALDH1A1KDM4E

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
EP-2331546-B1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-20110312934-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-12-22 US disclosed
EP-2331546-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF Sanofi-aventis (FR) 2011-06-15 EP disclosed
WO-2010018327-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-IB]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2010-02-18 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-20110312934-A1 2-ALKYL-6-CYCLOAMINO-3-(PYRIDIN-4-YL)IMIDAZO[1,2-B]-PYRIDAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF NR3C1, CNKSR1, NR3C2 DPP4 2538/4885NPC1 1737/4885RAB9A 2257/4885

“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.