SCHEMBL2515604

SCHEMBL2515604

COc1cccc(CCNc2nc(Nc3cccc(CCO)c3)ncc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.53
STK17B O94768 7/20 0.51
STK17A Q9UEE5 7/20 0.51
BRD4 O60885 1/20 0.49
CCNK O75909 2/20 0.49
CCND3 P30281 2/20 0.49
CDK9 P50750 2/20 0.49
CDK6 Q00534 2/20 0.49
LRRK2 Q5S007 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SYK P43405 1/20 0.48
NTRK1 P04629 1/20 0.46
AURKA O14965 1/20 0.46
EGFR P00533 2/20 0.45
BTK Q06187 2/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CNR2 P34972 1/20 0.45

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
SCHEMBL2519106 0.95 STK17A (0.52) JAK3STK17BSTK17ABRD4CCNK
SCHEMBL2516086 0.94 STK17A (0.52) JAK3STK17BSTK17ABRD4CCNK
SCHEMBL2514431 0.94 JAK3 (0.53) JAK3STK17BSTK17ABRD4CCNK
SCHEMBL2521945 0.92 CCNK (0.57) JAK3BRD4CCNKCCND3CDK9
SCHEMBL2516090 0.90 STK17A (0.52) JAK3STK17BSTK17ABRD4CCNK
SCHEMBL2519243 0.87 CCNK (0.56) JAK3BRD4CCNKCCND3CDK9
SCHEMBL3708248 0.85 JAK3 (0.49) JAK3STK17BSTK17ABRD4CCNK
SCHEMBL2518058 0.84 NTRK1 (0.63) JAK3BRD4CCNKCCND3CDK9
SCHEMBL13283861 0.83 CCNK (0.58) JAK3BRD4CCNKCCND3CDK9
SCHEMBL2514435 0.83 CCNK (0.64) JAK3BRD4CCNKCCND3CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 WO disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 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 (2 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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK JAK3 4/4885STK17B 139/4885STK17A 74/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK JAK3 4/4885STK17B 139/4885STK17A 74/4885

“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.