SCHEMBL592964

SCHEMBL592964

O=C(Nc1ccc(/C=C/CN2CCOCC2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.65
BCL3 P20749 1/20 0.47
MAPK14 Q16539 10/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
BRAF P15056 2/20 0.41
SRC P12931 1/20 0.40
SYK P43405 1/20 0.40
GSK3A P49840 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL592965 1.00 DDR2 (0.65) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL593437 0.87 DDR2 (0.58) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL593436 0.87 DDR2 (0.58) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL593154 0.86 DDR2 (0.65) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL594576 0.83 DDR2 (0.70) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL593300 0.82 DDR2 (0.75) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL593301 0.80 DDR2 (0.67) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL593534 0.80 DDR2 (0.71) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL10129592 0.80 DDR2 (0.66) DDR2BCL3MAPK14MAPK13MAPK12
SCHEMBL594133 0.79 DDR2 (1.00) DDR2BCL3MAPK14MAPK13MAPK12

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 6 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-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-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
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 3028/4885BCL3 2131/4885MAPK14 15/4885
US-20080032967-A1 1,4-Disubstituted Naphthalenes as Inhibitors of P38 Map Kinase MAPK1, MAPK8, MAPK4 DDR2 3203/4885BCL3 2083/4885MAPK14 10/4885

“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.