SCHEMBL6640930

SCHEMBL6640930

COn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 1.00
PDE4A P27815 1/20 0.44
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL2890721 0.87 MAPK14 (0.77) MAPK14PDE4AEGFRRAF1ADORA3
SCHEMBL6640633 0.83 MAPK14 (1.00) MAPK14PDE4AMAPK13MAPK12MAPK11
SCHEMBL2889128 0.81 MAPK14 (0.72) MAPK14PDE4AMAPK13MAPK12MAPK11
SCHEMBL6640304 0.80 MAPK14 (1.00) MAPK14PDE4A
SCHEMBL6641727 0.78 MAPK14 (0.71) MAPK14PDE4AMAPK13MAPK12MAPK11
SCHEMBL6642816 0.78 MAPK14 (0.72) MAPK14PDE4AMAPK13MAPK12MAPK11
SCHEMBL27784867 0.77 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11
SCHEMBL25978284 0.77 MAPK14 (0.66) MAPK14PDE4AMAPK13MAPK12MAPK11
SCHEMBL6640155 0.76 MAPK14 (0.74) MAPK14PDE4AMAPK13MAPK12MAPK11
SCHEMBL6643926 0.75 MAPK14 (0.60) MAPK14PDE4AMAPK13MAPK12MAPK11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP claimed
EP-1025102-B1 BICYCLIC KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2004-05-19 EP disclosed
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-20030139462-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2003-07-24 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020013354-A1 p38 map kinase inhibitors CHENG SOAN (US) 2002-01-31 US disclosed
US-20010044538-A1 p38 MAP kinase inhibitors CHENG SOAN (US) 2001-11-22 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
EP-1025102-A1 BICYCLIC KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-08-09 EP disclosed
WO-1999020624-A1 BICYCLIC KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 1999-04-29 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 (3 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-20020013354-A1 p38 map kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885PDE4A 532/4885MAPK13 33/4885
US-20030139462-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885PDE4A 532/4885MAPK13 33/4885
US-20010044538-A1 p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K1 MAPK14 31/4885PDE4A 532/4885MAPK13 33/4885

“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.