SCHEMBL1025628

SCHEMBL1025628

Nc1cccc(S(=O)(=O)NCc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.58
TP53 P04637 1/20 0.51
ROCK1 Q13464 1/20 0.48
NTRK1 P04629 2/20 0.47
PRMT1 Q99873 1/20 0.44
POLB P06746 2/20 0.43
BCL6 P41182 1/20 0.42
JAK1 P23458 2/20 0.41
HDAC1 Q13547 2/20 0.41
BRD4 O60885 2/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
TNNI3K Q59H18 1/20 0.40
LMNA P02545 1/20 0.40
SLC12A2 P55011 1/20 0.40
SLC12A5 Q9H2X9 1/20 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
SCHEMBL1024594 0.85 CYP19A1 (0.60) CYP19A1TP53NTRK1POLBTNNI3K
SCHEMBL2514436 0.85 NTRK1 (0.51) CYP19A1NTRK1POLBBCL6CDC25A
SCHEMBL1025031 0.84 POLB (0.53) CYP19A1POLBBCL6JAK1HDAC1
SCHEMBL1073861 0.80 MAP3K8 (0.46) NTRK1BCL6
SCHEMBL1026771 0.79 CTSC (0.47) NTRK1BCL6JAK1
SCHEMBL4175833 0.78 BCL6 (0.56) BCL6JAK1LMNA
SCHEMBL1024074 0.78 MET (0.44) NTRK1BCL6BRD4CDC25ACDC25B
SCHEMBL1026333 0.78 AURKA (0.47) ROCK1NTRK1BRD4LMNA
SCHEMBL1023956 0.77 BCL6 (0.42) NTRK1BCL6JAK1
SCHEMBL30306511 0.76 BRD4 (0.63) JAK1HDAC1BRD4TNNI3KLMNA

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP19A1 2565/4885TP53 805/4885ROCK1 312/4885

“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.