SCHEMBL10130276

SCHEMBL10130276

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(N2CCC(Cc3ccccc3)CC2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.54
DDR2 Q16832 2/20 0.52
MAPK13 O15264 4/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 4/20 0.51
TNF P01375 3/20 0.48
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CIT O14578 1/20 0.46
MUSK O15146 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
STK10 O94804 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL10130287 0.92 MAPK14 (0.55) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130264 0.90 DDR2 (0.62) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130063 0.89 DDR2 (0.55) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130282 0.89 MAPK14 (0.57) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130268 0.87 MAPK14 (0.58) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130280 0.87 MAPK14 (0.58) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130058 0.86 MAPK14 (0.53) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130271 0.86 MAPK14 (0.57) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130239 0.86 DDR2 (0.57) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130061 0.85 MAPK14 (0.53) MAPK14DDR2MAPK13MAPK12MAPK11

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