SCHEMBL477172

SCHEMBL477172

Cc1cn2nc(N3CCN(C)CC3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTR3A P46098 5/20 0.49
HTR3E A5X5Y0 3/20 0.49
HTR3B O95264 3/20 0.49
HTR3D Q70Z44 3/20 0.49
HTR3C Q8WXA8 3/20 0.49
COMT P21964 1/20 0.47
PDE10A Q9Y233 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
DYRK1A Q13627 1/20 0.44

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
SCHEMBL17232700 0.87 NPC1 (0.58) KDM4EDRD2DRD4DRD3COMT
SCHEMBL30385430 0.83 CSNK1E (0.52) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL17232705 0.83 SMN1; SMN2 (0.47) KDM4ECOMTPDE10ANPC1RAB9A
SCHEMBL26136508 0.83 DRD2 (0.49) KDM4EDRD2DRD4DRD3HTR3A
SCHEMBL10768758 0.79 HRH4 (0.51) KDM4EDRD2DRD4DRD3HTR3A
SCHEMBL3108535 0.76 KDM4E (0.50) KDM4EDRD2DRD4DRD3NPC1
SCHEMBL477169 0.76 KDM4E (0.58) KDM4EHTR3AHTR3EHTR3BHTR3D
SCHEMBL5309128 0.76 DRD2 (0.44) KDM4EDRD2DRD4DRD3HTR3A
SCHEMBL14183791 0.74 KDM4E (0.44) KDM4EDRD2DRD4DRD3HTR3A
SCHEMBL16009804 0.74 JAK2 (0.52) HRH3

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 8 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
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
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
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
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 KDM4E 3463/4885DRD2 661/4885DRD4 654/4885

“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.