SCHEMBL4153600

SCHEMBL4153600

Cc1ccnc2[nH]c(-c3ccsc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
WNT1 P04628 2/20 0.41
TGFBR1 P36897 1/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MET P08581 1/20 0.37
LRRK2 Q5S007 1/20 0.36
CYP2A6 P11509 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL1665479 0.78 TNKS (0.51) MGAMGAASIMGAM2TNKS2
SCHEMBL4161109 0.78 DHODH (0.50) CDK5CDK5R1GSK3BCCNB2CDK1
SCHEMBL4158223 0.78 PKN1 (0.49) CDK5CDK5R1GSK3BCCNB2CDK1
SCHEMBL13778056 0.78 GSK3B (0.52) CLK2CLK3DYRK1AGSK3BWNT1
SCHEMBL17224938 0.76 TNKS (0.49) MGAMGAASIMGAM2DHODH
SCHEMBL4157363 0.76 MGAM (0.57) GSK3BMGAMGAASIMGAM2
SCHEMBL17236527 0.76 TNKS (0.52) GSK3BCCNB2CDK1CCNB1CCNB3
SCHEMBL4148211 0.76 MGAM (0.57) CDK5CDK5R1GSK3BCCNB2CDK1
SCHEMBL4041150 0.75 GSK3B (0.50) CDK5CDK5R1GSK3BCCNB2CDK1
SCHEMBL4158077 0.75 TMIGD3 (0.42) CLK2CLK3DYRK1AGSK3BMGAM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US disclosed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP disclosed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 CLK2 272/4885CLK3 369/4885DYRK1A 364/4885

“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.