SCHEMBL592879

SCHEMBL592879

CCOC(=O)N1CCC(Nc2nccc(Oc3ccc(NC(=O)c4cc(F)cc(N5CCCCC5)c4)c4ccccc34)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.48
DDR2 Q16832 1/20 0.46
MAPK14 Q16539 4/20 0.44
SRC P12931 1/20 0.44
SYK P43405 1/20 0.44
CCR8 P51685 6/20 0.44
MAPK8 P45983 1/20 0.43
DGAT1 O75907 1/20 0.42
SMO Q99835 1/20 0.41
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
NOS2 P35228 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL594615 0.94 DDR2 (0.55) GSK3ADDR2MAPK14SRCSYK
SCHEMBL10130548 0.91 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL592922 0.91 DDR2 (0.50) GSK3ADDR2MAPK14SRCSYK
SCHEMBL593046 0.91 GSK3A (0.55) GSK3ADDR2MAPK14SRCSYK
SCHEMBL10130556 0.91 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL594764 0.91 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL594192 0.91 DDR2 (0.49) GSK3ADDR2MAPK14SRCSYK
SCHEMBL593266 0.89 GSK3A (0.47) GSK3ADDR2MAPK14SRCSYK
SCHEMBL593499 0.89 DDR2 (0.48) GSK3ADDR2MAPK14SRCSYK
SCHEMBL592878 0.87 DDR2 (0.44) 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 10 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-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
US-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. (US) 2010-12-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-7829560-B2 1,4-disubstituted naphthalenes as inhibitors of P38 MAP kinase ARQULE, INC. (US) 2010-11-09 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase ARQULE, INC. 2008-02-07 US disclosed
WO-2006010082-A1 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE ARQULE, INC. (US) 2006-01-26 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-20100311754-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK7, MAP3K1 GSK3A 1443/4885DDR2 3028/4885MAPK14 15/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 GSK3A 572/4885DDR2 3203/4885MAPK14 10/4885

“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.