SCHEMBL10159602

SCHEMBL10159602

CC1OC(N2CCC(Nc3nccc(Oc4ccc(NC(=O)c5cc(F)cc(N6CCCCC6)c5)c5ccccc45)n3)CC2)O1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 0.46
DDR2 Q16832 1/20 0.45
MAPK14 Q16539 6/20 0.44
SRC P12931 3/20 0.44
SYK P43405 3/20 0.44
SMO Q99835 1/20 0.38
MET P08581 1/20 0.37
MAPK12 P53778 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
SCHEMBL592922 0.91 DDR2 (0.50) GSK3ADDR2MAPK14SRCSYK
SCHEMBL593266 0.90 GSK3A (0.47) GSK3ADDR2MAPK14SRCSYK
SCHEMBL593046 0.90 GSK3A (0.55) GSK3ADDR2MAPK14SRCSYK
SCHEMBL10130556 0.90 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL594764 0.90 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL594192 0.90 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL10157766 0.88 DDR2 (0.47) GSK3ADDR2MAPK14SRCSYK
SCHEMBL10130548 0.88 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL593396 0.87 GSK3A (0.48) GSK3ADDR2MAPK14SRCSYK
SCHEMBL592879 0.86 GSK3A (0.48) GSK3ADDR2MAPK14SRCSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114873-B2 1,4-disubstituted naphthalenes as inhibitors of p38 map kinase ARQULE, INC. (US) 2012-02-14 US disclosed
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 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 (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-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK7, MAP3K1 GSK3A 1443/4885DDR2 3028/4885MAPK14 15/4885

“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.