SCHEMBL10130255

SCHEMBL10130255

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1ccnc(N2CCC(CO)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 2/20 0.59
MAPK14 Q16539 15/20 0.56
MAPK13 O15264 4/20 0.53
MAPK12 P53778 4/20 0.53
MAPK11 Q15759 4/20 0.53
TNF P01375 3/20 0.48
GSK3B P49841 2/20 0.48
CIT O14578 1/20 0.48
MUSK O15146 1/20 0.48
MAP3K7 O43318 1/20 0.48
RIPK2 O43353 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
CHEK2 O96017 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
RAF1 P04049 1/20 0.48
NTRK1 P04629 1/20 0.48
HSPB1 P04792 1/20 0.48
PRKCB P05771 1/20 0.48

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
SCHEMBL593281 0.92 DDR2 (0.61) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL594051 0.92 DDR2 (0.69) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL10130239 0.92 DDR2 (0.57) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL594686 0.91 DDR2 (0.60) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL592885 0.90 DDR2 (0.64) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL595039 0.90 DDR2 (0.63) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL10130244 0.89 DDR2 (0.58) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL10130251 0.89 DDR2 (0.57) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL10129897 0.88 DDR2 (0.63) DDR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL10159080 0.87 MAPK14 (0.68) DDR2MAPK14MAPK13MAPK12MAPK11

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 8 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

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 DDR2 3028/4885MAPK14 15/4885MAPK13 22/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 DDR2 3203/4885MAPK14 10/4885MAPK13 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.