SCHEMBL6866299

SCHEMBL6866299

CC(C)(C)OC(=O)N1CC=C(c2cc(-c3ccc(F)cc3F)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)CC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.50
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
GRM5 P41594 5/20 0.43
GRM1 Q13255 5/20 0.43
PDK4 Q16654 1/20 0.43
CDK9 P50750 3/20 0.42
KCNH2 Q12809 1/20 0.40
CNR1 P21554 1/20 0.39
CCNT1 O60563 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL6670366 0.95 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GRM5
SCHEMBL6668930 0.93 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11GRM5
SCHEMBL6865882 0.92 GRM5 (0.43) MAPK14MAPK13MAPK12MAPK11GRM5
SCHEMBL6671657 0.90 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL6866905 0.89 PDK4 (0.51) MAPK14MAPK13MAPK12MAPK11GRM5
SCHEMBL6864402 0.84 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6670057 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PDK4
SCHEMBL6669611 0.76 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL13993111 0.76 GRM1 (0.57) GRM5GRM1PDK4CDK9CNR1
SCHEMBL6669750 0.75 PDK4 (0.42) MAPK14GRM5GRM1PDK4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
US-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MERCK SHARP & DOHME CORP. 2003-05-15 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 (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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 MAPK14 5/4885MAPK13 11/4885MAPK12 30/4885

“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.