SCHEMBL1018125

SCHEMBL1018125

O=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)C(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.53
CDK7 P50613 10/20 0.51
CDK9 P50750 10/20 0.51
ROS1 P08922 7/20 0.49
MET P08581 6/20 0.49
EGFR P00533 5/20 0.49
AURKA O14965 1/20 0.47
NTRK1 P04629 1/20 0.47
IGF1R P08069 1/20 0.47
CDK4 P11802 1/20 0.47
EPHA1 P21709 1/20 0.47
CDK2 P24941 1/20 0.47
CDK3 Q00526 1/20 0.47
CDK6 Q00534 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL29666260 0.87 ALK (0.67) ALKCDK7CDK9ROS1MET
SCHEMBL375643 0.87 ALK (0.67) ALKCDK7CDK9ROS1MET
SCHEMBL17879579 0.85 ALK (0.56) ALKCDK7CDK9ROS1MET
SCHEMBL17879581 0.83 ALK (0.52) ALKCDK7CDK9ROS1MET
SCHEMBL2062912 0.83 ALK (0.54) ALKCDK7CDK9ROS1MET
SCHEMBL31512671 0.83 ALK (0.71) ALKCDK7CDK9ROS1MET
SCHEMBL2061222 0.83 ALK (0.71) ALKCDK7CDK9ROS1MET
SCHEMBL30223453 0.82 AXL (0.59) ALKCDK7CDK9EGFRAURKA
SCHEMBL2061451 0.82 AXL (0.59) ALKCDK7CDK9EGFRAURKA
SCHEMBL375003 0.81 CDK7 (0.61) ALKCDK7CDK9ROS1MET

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
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
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.