Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130466

SCHEMBL10130466

SCHEMBL10130466

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DDR2 Q16832 1/20 0.61
▸ MAPK14 Q16539 9/20 0.57
▸ KDR P35968 5/20 0.55
▸ MAPK13 O15264 2/20 0.54
▸ MAPK12 P53778 2/20 0.54
▸ MAPK11 Q15759 2/20 0.54
▸ ABL1 P00519 2/20 0.53
▸ BRAF P15056 1/20 0.49
▸ TNF P01375 1/20 0.49
▸ WNT3A P56704 1/20 0.48
▸ KCNH2 Q12809 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
SCHEMBL592783 0.94 DDR2 (0.60) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130104 0.89 MAPK14 (0.62) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL594298 0.89 DDR2 (0.67) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL594025 0.89 DDR2 (0.62) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130434 0.89 MAPK14 (0.61) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130394 0.88 DDR2 (0.62) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10158411 0.88 DDR2 (0.62) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130398 0.88 DDR2 (0.70) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130224 0.87 MAPK14 (0.59) DDR2MAPK14KDRMAPK13MAPK12
SCHEMBL10130406 0.87 DDR2 (0.69) 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.