SCHEMBL10130561

SCHEMBL10130561

CC(=O)NC1CCN(c2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCCCC5)c4)c4ccccc34)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.47
GSK3A P49840 4/20 0.41
MAPK14 Q16539 4/20 0.41
SRC P12931 1/20 0.41
SYK P43405 1/20 0.41
SMO Q99835 1/20 0.40
CCNE1 P24864 10/20 0.40
CDK2 P24941 10/20 0.40
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37
CDK6 Q00534 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
SCHEMBL10130520 0.93 DDR2 (0.56) DDR2GSK3AMAPK14SRCSYK
SCHEMBL593735 0.92 DDR2 (0.49) DDR2GSK3AMAPK14SRCSYK
SCHEMBL10158313 0.91 DDR2 (0.44) DDR2GSK3AMAPK14SRCSYK
SCHEMBL592566 0.91 DDR2 (0.54) DDR2GSK3AMAPK14SRCSYK
SCHEMBL592975 0.91 DDR2 (0.54) DDR2GSK3AMAPK14SRCSYK
SCHEMBL592963 0.91 DDR2 (0.49) DDR2GSK3AMAPK14SRCSYK
SCHEMBL14272201 0.90 DDR2 (0.48) DDR2GSK3AMAPK14SRCSYK
SCHEMBL10130555 0.89 DDR2 (0.48) DDR2GSK3AMAPK14SRCSYK
SCHEMBL592844 0.89 DDR2 (0.49) DDR2GSK3AMAPK14SRCSYK
SCHEMBL10130578 0.89 DDR2 (0.48) DDR2GSK3AMAPK14SRCSYK

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 DDR2 3028/4885GSK3A 1443/4885MAPK14 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.