SCHEMBL477141

SCHEMBL477141

Cc1cc(-c2c(C)nc3ccc(N4CCC5(CCCNC5)CC4)nn23)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 6/20 0.55
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPA Q5VT25 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP2D6 P10635 4/20 0.39
TSHR P16473 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
USP2 O75604 3/20 0.35
MAPK1 P28482 3/20 0.35
TP53 P04637 2/20 0.35
CYP2C19 P33261 2/20 0.35
RIPK3 Q9Y572 2/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL477077 0.91 CSNK1E (0.57) CSNK1EALDH1A1HRH3RIPK3TLR9
SCHEMBL3104980 0.89 CSNK1E (0.51) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477090 0.89 CSNK1E (0.70) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3116829 0.88 CSNK1E (0.53) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL3113529 0.86 CSNK1E (0.46) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477103 0.84 CSNK1E (0.64) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL1937286 0.84 CSNK1E (0.64) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477104 0.84 CSNK1E (0.64) CSNK1EALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL477008 0.79 CSNK1E (0.63) CSNK1ERIPK3PIM1PIM3PIM2
SCHEMBL17976971 0.78 CSNK1E (0.51) CSNK1EHSD17B10ROCK2ROCK1CDC42BPA

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 7 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 claimed
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 claimed
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 claimed
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 claimed
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
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 CSNK1E 2760/4885ALDH1A1 823/4885CYP3A4 1119/4885

“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.