SCHEMBL1014586

SCHEMBL1014586

CC(=O)c1c(Cl)nc(Cl)nc1Nc1ccccc1S(=O)(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 7/20 0.48
CDK9 P50750 7/20 0.48
AURKA O14965 1/20 0.48
NTRK1 P04629 1/20 0.48
IGF1R P08069 1/20 0.48
CDK4 P11802 1/20 0.48
EPHA1 P21709 1/20 0.48
CDK2 P24941 1/20 0.48
CDK3 Q00526 1/20 0.48
CDK6 Q00534 1/20 0.48
CDK5 Q00535 1/20 0.48
ALK Q9UM73 13/20 0.47
ROS1 P08922 2/20 0.46
INSR P06213 1/20 0.45
MET P08581 5/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL1014768 0.89 CDK7 (0.47) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL3959009 0.84 ALK (0.51) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL1013606 0.82 CDK7 (0.48) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL1014467 0.81 ALK (0.48) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL12568520 0.81 CDK7 (0.48) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL12547364 0.80 ALK (0.55) CDK7CDK9IGF1RALKROS1
SCHEMBL1013608 0.80 CDK7 (0.46) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL1493586 0.79 ALK (0.51) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL1014486 0.79 ALK (0.47) CDK7CDK9AURKANTRK1IGF1R
SCHEMBL1014227 0.79 CDK7 (0.46) CDK7CDK9AURKANTRK1IGF1R

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 CDK7 449/4885CDK9 357/4885AURKA 2055/4885

“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.