Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130458

SCHEMBL10130458

SCHEMBL10130458

O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(-c2cc(Cl)ccc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.59
▸ KDR P35968 5/20 0.59
▸ DDR2 Q16832 1/20 0.59
▸ MAPK13 O15264 3/20 0.52
▸ MAPK12 P53778 3/20 0.52
▸ MAPK11 Q15759 3/20 0.52
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ TNF P01375 1/20 0.47
▸ 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
SCHEMBL10130115 0.94 MAPK14 (0.59) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130144 0.93 MAPK14 (0.62) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130191 0.92 MAPK14 (0.60) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10158738 0.92 MAPK14 (0.60) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10157736 0.91 MAPK14 (0.59) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130228 0.91 MAPK14 (0.59) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130114 0.91 MAPK14 (0.64) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130451 0.91 MAPK14 (0.60) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130422 0.89 MAPK14 (0.60) MAPK14KDRDDR2MAPK13MAPK12
SCHEMBL10130423 0.89 MAPK14 (0.62) MAPK14KDRDDR2MAPK13MAPK12

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 15/4885KDR 4065/4885DDR2 3028/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 MAPK14 10/4885KDR 4377/4885DDR2 3203/4885

“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.