SCHEMBL7236344

SCHEMBL7236344

NCc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.79
MAPK13 O15264 15/20 0.76
MAPK12 P53778 15/20 0.76
MAPK11 Q15759 15/20 0.76
MAPK14 Q16539 15/20 0.76
RAF1 P04049 10/20 0.76
BRAF P15056 6/20 0.76
MAPK9 P45984 1/20 0.76
GCGR P47871 4/20 0.69
BRDT Q58F21 1/20 0.62

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
SCHEMBL16511391 1.00 ALOX5 (0.79) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL25008485 0.93 ALOX5 (0.67) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL6465062 0.88 ALOX5 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL4553281 0.88 ALOX5 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL2949385 0.87 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL7228717 0.87 MAPK13 (1.00) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL16497639 0.85 MAPK14 (0.83) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL16510932 0.84 BRAF (0.68) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL16510921 0.83 BRAF (0.75) ALOX5MAPK13MAPK12MAPK11MAPK14
SCHEMBL19868929 0.83 MAPK13 (0.71) ALOX5MAPK13MAPK12MAPK11MAPK14

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-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 WO 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 (1 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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 ALOX5 2555/4885MAPK13 2219/4885MAPK12 3250/4885

“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.