SCHEMBL1075151

SCHEMBL1075151

Nc1cccc(OCCNc2cccc(Nc3nc(Cl)ncc3Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 7/20 0.43
BCL6 P41182 1/20 0.41
SYK P43405 5/20 0.40
BRD4 O60885 1/20 0.39
F2 P00734 3/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKACA P17612 1/20 0.38
PRKCD Q05655 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL4360886 0.85 CTSC (0.45) CTSCSYKJAK3
SCHEMBL1026332 0.84 BCL6 (0.41) CTSCBCL6SYKBRD4JAK2
SCHEMBL13623177 0.84 MAPT (0.44) CTSC
SCHEMBL1025860 0.83 CTSC (0.48) CTSCBCL6SYKJAK2JAK1
SCHEMBL1072715 0.81 CTSC (0.56) CTSCBCL6SYK
SCHEMBL4175833 0.81 BCL6 (0.56) CTSCBCL6SYKJAK2JAK1
SCHEMBL1073861 0.81 MAP3K8 (0.46) CTSCBCL6SYK
SCHEMBL13623176 0.80 EGFR (0.53) CTSCSYKBRD4JAK3
SCHEMBL1023372 0.79 SYK (0.59) CTSCBCL6SYKBRD4JAK2
Trifluoroacetic Acid SCHEMBL1073741 0.79 CTSC (0.42) CTSC

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-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
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 CTSC 1827/4885BCL6 392/4885SYK 46/4885

“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.