SCHEMBL13623174

SCHEMBL13623174

CC(C)(C)OC(=O)Nc1cccc(NCCOc2cccc(N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITK Q08881 3/20 0.47
EGFR P00533 2/20 0.47
SYK P43405 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
FAAH O00519 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PDK2 Q15119 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 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
SCHEMBL1075413 0.83 F2 (0.44) MAPTTSHRALDH1A1THRB
SCHEMBL13623175 0.83 MEN1 (0.51) MAPTSMN1; SMN2ALDH1A1
SCHEMBL13623108 0.83 SMN1; SMN2 (0.43) ITKEGFRSYKMAPTSMN1; SMN2
SCHEMBL29379579 0.82 CA12 (0.58) ITKEGFRPDK2CA1CA2
SCHEMBL541782 0.82 CA12 (0.58) ITKEGFRPDK2CA1CA2
SCHEMBL10288896 0.81 CA1 (0.59) ITKEGFRMAPTPDK2CA1
SCHEMBL29478358 0.80 ALDH1A1 (0.60) SYKMAPTSMN1; SMN2CA1CA2
SCHEMBL656043 0.80 ALDH1A1 (0.60) SYKMAPTSMN1; SMN2CA1CA2
SCHEMBL7861824 0.80 FAAH (0.50) ITKEGFRSYKMAPTSMN1; SMN2
SCHEMBL13623115 0.79 AURKA (0.53) SYKAURKARPS6KB1CA1CA2

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 4 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-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 ITK 379/4885EGFR 180/4885SYK 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.