SCHEMBL6865882

SCHEMBL6865882

Cc1ccc(F)cc1-c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc2c1CCC(=O)N2c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.43
GRM1 Q13255 6/20 0.43
MAPK14 Q16539 4/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
CDK9 P50750 4/20 0.42
PDK4 Q16654 1/20 0.42
CCNT1 O60563 1/20 0.42
CNR1 P21554 1/20 0.39
NAMPT P43490 1/20 0.39
ELANE P08246 1/20 0.38
SOS1 Q07889 1/20 0.37

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
SCHEMBL6668930 0.94 MAPK14 (0.45) GRM5GRM1MAPK14MAPK13MAPK12
SCHEMBL6670366 0.92 MAPK14 (0.51) GRM5GRM1MAPK14MAPK13MAPK12
SCHEMBL6866299 0.92 MAPK14 (0.50) GRM5GRM1MAPK14MAPK13MAPK12
SCHEMBL6866905 0.88 PDK4 (0.51) GRM5GRM1MAPK14MAPK13MAPK12
SCHEMBL6864402 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6671657 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669750 0.79 PDK4 (0.42) GRM5GRM1MAPK14PDK4CNR1
SCHEMBL6670057 0.78 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PDK4
SCHEMBL6669611 0.76 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL29915607 0.74 GRM1 (0.55) GRM5GRM1CDK9PDK4CCNT1

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 3 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
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO 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 GRM5 4454/4885GRM1 4016/4885MAPK14 5/4885

“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.