SCHEMBL2514435

SCHEMBL2514435

COc1cccc(CNc2nc(Nc3cccc(OC)c3)ncc2Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.64
CCND3 P30281 2/20 0.64
CDK9 P50750 2/20 0.64
CDK6 Q00534 2/20 0.64
SYK P43405 1/20 0.58
NTRK1 P04629 11/20 0.58
BRD4 O60885 1/20 0.57
NTRK3 Q16288 1/20 0.56
NTRK2 Q16620 1/20 0.56
JAK1 P23458 1/20 0.53
JAK3 P52333 1/20 0.53
STAT6 P42226 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2518058 0.93 NTRK1 (0.63) CCNKCCND3CDK9CDK6SYK
SCHEMBL13283861 0.92 CCNK (0.58) CCNKCCND3CDK9CDK6SYK
SCHEMBL2521945 0.91 CCNK (0.57) CCNKCCND3CDK9CDK6NTRK1
SCHEMBL2519243 0.89 CCNK (0.56) CCNKCCND3CDK9CDK6NTRK1
SCHEMBL29575097 0.86 BRD4 (0.72) CCNKCCND3CDK9CDK6SYK
SCHEMBL17544617 0.86 BRD4 (0.72) CCNKCCND3CDK9CDK6SYK
SCHEMBL2518146 0.83 CCNK (0.56) CCNKCCND3CDK9CDK6MEN1
SCHEMBL15547431 0.83 JAK1 (0.69) CCNKCCND3CDK9CDK6NTRK1
SCHEMBL2515604 0.83 JAK3 (0.53) CCNKCCND3CDK9CDK6SYK
SCHEMBL2514431 0.83 JAK3 (0.53) CCNKCCND3CDK9CDK6SYK

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 CCNK 468/4885CCND3 2049/4885CDK9 201/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CCNK 468/4885CCND3 2049/4885CDK9 201/4885

“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.