SCHEMBL10134947

SCHEMBL10134947

CN1CCCC(Nc2nc3cc(C#N)ccc3c3sccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.47
CDK7 P50613 2/20 0.47
CCNH P51946 2/20 0.47
MNAT1 P51948 2/20 0.47
LRRK2 Q5S007 1/20 0.44
EGLN2 Q96KS0 1/20 0.44
NLRP3 Q96P20 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KAT2B Q92831 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
IL1B P01584 2/20 0.38
EHMT2 Q96KQ7 2/20 0.38
EGFR P00533 2/20 0.37

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
SCHEMBL10134990 0.90 CSNK2A1 (0.49) CSNK2A1CDK7CCNHMNAT1IRAK4
SCHEMBL10134997 0.88 CSNK2A1 (0.53) CSNK2A1CDK7CCNHMNAT1EGLN2
SCHEMBL13688059 0.85 CSNK2A1 (0.49) CSNK2A1CDK7CCNHMNAT1NLRP3
SCHEMBL30101099 0.81 NLRP3 (0.57) NLRP3IL1B
SCHEMBL10134993 0.81 CSNK2A1 (0.55) CSNK2A1CDK7CCNHMNAT1IRAK4
SCHEMBL30101119 0.80 NLRP3 (0.57) NLRP3IL1B
SCHEMBL10132264 0.79 CSNK2A1 (0.43) CSNK2A1CDK7CCNHMNAT1NLRP3
SCHEMBL10136184 0.78 CSNK2A1 (0.44) CSNK2A1KAT2B
SCHEMBL10134959 0.77 CSNK2A1 (0.47) CSNK2A1CDK7CCNHMNAT1NLRP3
SCHEMBL10134992 0.76 NSD2 (0.57) CSNK2A1CDK7IRAK4EHMT2

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
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 US 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 (2 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-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CSNK2A1 680/4885CDK7 96/4885CCNH 351/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 CSNK2A1 680/4885CDK7 96/4885CCNH 351/4885

“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.