SCHEMBL477022

SCHEMBL477022

Cc1nc2ccc(N3CC4CN(Cc5ccccc5)CC4C3)nn2c1-c1ccnc(CN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
CSNK1E P49674 3/20 0.41
DPP4 P27487 3/20 0.40
CHRNA7 P36544 2/20 0.39
RIPK3 Q9Y572 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL477063 0.90 HRH3 (0.52) HRH3CSNK1EDPP4CHRNA7RIPK3
SCHEMBL477024 0.87 HRH3 (0.46) HRH3CSNK1EDPP4CHRNA7RIPK3
SCHEMBL477026 0.83 CSNK1E (0.49) CSNK1ECHRNA7RIPK3PRMT5WDR77
SCHEMBL16496413 0.82 CSNK1E (0.37) CSNK1EDPP4RIPK3PRMT5WDR77
SCHEMBL477165 0.81 CSNK1E (0.47) CSNK1ERIPK3PRMT5WDR77
SCHEMBL477105 0.73 PRMT5 (0.55) CSNK1EDPP4PRMT5WDR77
SCHEMBL3117481 0.73 CSNK1E (0.51) CSNK1ERIPK3
SCHEMBL477137 0.72 CSNK1E (0.44) CSNK1ERIPK3
SCHEMBL16495695 0.72 CSNK1E (0.38) HRH3CSNK1EDPP4RIPK3
SCHEMBL477160 0.72 CSNK1E (0.54) CSNK1ECHRNA7RIPK3PDE10A

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 HRH3 63/4885CSNK1E 2760/4885DPP4 2538/4885

“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.