SCHEMBL477169

SCHEMBL477169

Cc1nc2ccc(N3CCN(C)CC3)nn2c1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
CASP1 P29466 1/20 0.52
RAB9A P51151 1/20 0.52
CASP7 P55210 1/20 0.52
HTR3A P46098 5/20 0.46
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
CSNK1E P49674 1/20 0.45
RIPK3 Q9Y572 5/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
HRH4 Q9H3N8 3/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3106180 0.78 HSD17B10 (0.49) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL31601830 0.78 KDM4E (0.56) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL477085 0.77 CSNK1E (0.76) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL18590412 0.76 KDM4E (0.61) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL477172 0.76 KDM4E (0.54) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL13111002 0.72 KDM4E (0.56) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL10920306 0.71 KDM4E (0.52) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL2763663 0.70 KDM4E (0.70) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL1743709 0.70 HRH3 (0.44) KDM4EALDH1A1NPC1TP53CASP1
SCHEMBL477062 0.69 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
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
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 3463/4885ALDH1A1 823/4885NPC1 1737/4885

“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.