SCHEMBL1017407

SCHEMBL1017407

CC(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)nc2ncn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.47
CDK7 P50613 10/20 0.46
CDK9 P50750 10/20 0.46
MET P08581 2/20 0.42
ROS1 P08922 2/20 0.42
AURKA O14965 1/20 0.42
NTRK1 P04629 1/20 0.42
IGF1R P08069 1/20 0.42
CDK4 P11802 1/20 0.42
EPHA1 P21709 1/20 0.42
CDK2 P24941 1/20 0.42
CDK3 Q00526 1/20 0.42
CDK6 Q00534 1/20 0.42
CDK5 Q00535 1/20 0.42
EGFR P00533 1/20 0.42
INSR P06213 2/20 0.42
DCLK1 O15075 1/20 0.42
PTK2 Q05397 1/20 0.42

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
SCHEMBL1013968 0.78 CDK1 (0.37) CDK2CDK5
SCHEMBL3959009 0.77 ALK (0.51) ALKCDK7CDK9METROS1
SCHEMBL375643 0.76 ALK (0.67) ALKCDK7CDK9METROS1
SCHEMBL29666260 0.76 ALK (0.67) ALKCDK7CDK9METROS1
SCHEMBL1491777 0.75 CDK7 (0.60) ALKCDK7CDK9METROS1
SCHEMBL3959979 0.75 CDK7 (0.50) ALKCDK7CDK9METROS1
SCHEMBL2825488 0.75 ALK (0.49) ALKCDK7CDK9METROS1
SCHEMBL31471890 0.75 ALK (0.49) ALKCDK7CDK9METROS1
SCHEMBL29015705 0.74 YTHDC1 (0.33) ALK
SCHEMBL30424513 0.74 YTHDC1 (0.33) ALK

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-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 EP disclosed
US-8592432-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN 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-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ROS1, INSR, IGF1R ALK 6/4885CDK7 449/4885CDK9 357/4885

“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.