SCHEMBL2517836

SCHEMBL2517836

COc1cccc([C@@H](C)Nc2nc(Nc3cccc(CO)c3)ncc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.50
SYK P43405 5/20 0.49
PLK1 P53350 1/20 0.49
BRD4 O60885 1/20 0.48
JAK2 O60674 1/20 0.45
NTRK1 P04629 1/20 0.45
KCNH3 Q9ULD8 1/20 0.44
EGFR P00533 4/20 0.44
BTK Q06187 2/20 0.44
AURKA O14965 1/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
FGFR1 P11362 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
SCHEMBL2519426 1.00 JAK3 (0.50) JAK3SYKPLK1BRD4JAK2
SCHEMBL2518058 0.83 NTRK1 (0.63) JAK3SYKBRD4JAK2NTRK1
SCHEMBL2514431 0.81 JAK3 (0.53) JAK3SYKBRD4JAK2NTRK1
SCHEMBL2516090 0.80 STK17A (0.52) JAK3SYKBRD4JAK2NTRK1
SCHEMBL2514458 0.79 JAK3 (0.47) JAK3SYKJAK2NTRK1AURKA
SCHEMBL2515989 0.79 JAK3 (0.47) JAK3SYKJAK2NTRK1AURKA
SCHEMBL13283867 0.79 JAK3 (0.44) JAK3PLK1BRD4CCNKCCNA2
SCHEMBL2521168 0.78 PFKFB3 (0.48) PLK1EGFR
SCHEMBL2519181 0.78 PFKFB3 (0.48) PLK1EGFR
SCHEMBL29575097 0.76 BRD4 (0.72) JAK3SYKBRD4JAK2EGFR

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 9 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

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 4/4885SYK 46/4885PLK1 427/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK JAK3 4/4885SYK 46/4885PLK1 427/4885

“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.