SCHEMBL1072883

SCHEMBL1072883

CC(C)S(=O)(=O)c1ccccc1Nc1cc(Cl)nc2ccnn12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 11/20 0.54
KCNN1 Q92952 2/20 0.48
KCNN2 Q9H2S1 2/20 0.48
DPP4 P27487 1/20 0.43
ALK Q9UM73 1/20 0.41
CDK2 P24941 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
PDE10A Q9Y233 2/20 0.41
CDK7 P50613 4/20 0.40
CDK9 P50750 4/20 0.40

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
SCHEMBL15214952 0.79 CDK9 (0.41) ALKCDK7CDK9
SCHEMBL1070192 0.76 CDK7 (0.38) ALKCDK7CDK9
SCHEMBL1070526 0.75 CDK7 (0.38) ALKCDK7CDK9
SCHEMBL1491776 0.72 ALK (0.46) ALKCDK7CDK9
SCHEMBL1491839 0.72 ALK (0.45) ALKCDK7CDK9
SCHEMBL14158215 0.71 KCNN3 (0.71) KCNN3KCNN1KCNN2CDK2PDE10A
SCHEMBL4318891 0.71 PDE10A (0.49) KCNN3KCNN1KCNN2CDK2PDE10A
SCHEMBL1491793 0.69 ALK (0.45) ALKCDK7CDK9
SCHEMBL14158199 0.69 PDE10A (0.61) KCNN3KCNN1KCNN2PDE10ACDK7
SCHEMBL14866230 0.69 ALK (0.55) ALKCDK7CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518931-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8518931-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-8518931-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-08-27 US disclosed
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
US-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
EP-2271645-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126514-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-10-15 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-20110190264-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS ROS1, IGF1R, INSR KCNN3 2508/4885KCNN1 2783/4885KCNN2 2779/4885

“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.