SCHEMBL10129969

SCHEMBL10129969

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cc(Br)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.61
DDR2 Q16832 2/20 0.59
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
MAPK13 O15264 4/20 0.56
MAPK12 P53778 4/20 0.56
MAPK11 Q15759 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
TNF P01375 2/20 0.51
CIT O14578 1/20 0.49
MUSK O15146 1/20 0.49
MAP3K7 O43318 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49
ABL1 P00519 1/20 0.49

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
SCHEMBL14295903 0.91 L3MBTL1 (0.56) MAPK14DDR2ALDH1A1MAPTHTT
SCHEMBL593011 0.89 MAPK14 (0.60) MAPK14DDR2ALDH1A1MAPTHTT
SCHEMBL10129979 0.89 DDR2 (0.68) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL592548 0.84 DDR2 (0.67) MAPK14DDR2ALDH1A1MAPTHTT
SCHEMBL10129968 0.81 MAPK14 (0.66) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130103 0.81 CNR1 (0.73) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10130085 0.81 MAPK14 (0.66) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10129916 0.81 DDR2 (0.67) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL10129913 0.81 MAPK14 (0.76) MAPK14DDR2MAPK13MAPK12MAPK11
SCHEMBL30449051 0.81 MAPK14 (0.68) 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 7 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

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 3028/4885ALDH1A1 757/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 MAPK14 10/4885DDR2 3203/4885ALDH1A1 1153/4885

“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.