SCHEMBL10130438

SCHEMBL10130438

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(F)c2F)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.64
MAPK14 Q16539 11/20 0.58
KDR P35968 6/20 0.58
MAPK13 O15264 3/20 0.53
MAPK12 P53778 3/20 0.53
MAPK11 Q15759 3/20 0.53
HTR2A P28223 1/20 0.49
TNF P01375 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL594061 0.95 DDR2 (0.66) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130416 0.89 DDR2 (0.65) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130139 0.89 DDR2 (0.65) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL13078259 0.89 DDR2 (0.62) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130144 0.88 MAPK14 (0.62) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130398 0.88 DDR2 (0.70) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL594298 0.88 DDR2 (0.67) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130126 0.88 DDR2 (0.61) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130447 0.88 MAPK14 (0.61) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130100 0.88 MAPK14 (0.62) DDR2MAPK14KDRMAPK13MAPK12

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 15/4885KDR 4065/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 DDR2 3203/4885MAPK14 10/4885KDR 4377/4885

“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.