SCHEMBL6669602

SCHEMBL6669602

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(NC4CCN(C(=O)OC(C)(C)C)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPK14 Q16539 7/20 0.46
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TGFBR1 P36897 1/20 0.38
BRD4 O60885 1/20 0.38
STS P08842 1/20 0.37
CCNT1 O60563 1/20 0.37
DGAT2 Q96PD7 2/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL6671656 0.89 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6668442 0.84 MAPK14 (0.41) ALDH1A1MAPK14MAPTL3MBTL1KDM1A
SCHEMBL6667759 0.82 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6647613 0.78 MAPK14 (0.61) MAPK14
SCHEMBL6668236 0.77 MAPK14 (0.50) MAPK14
SCHEMBL6667945 0.76 MAPK14 (0.53) MAPK14
SCHEMBL6667226 0.76 MAPK14 (0.51) MAPK14
SCHEMBL6869127 0.76 MAPK14 (0.41) ALDH1A1MAPK14MAPK1HTT
SCHEMBL6668734 0.75 MAPK14 (0.48) MAPK14
SCHEMBL6672647 0.75 MAPK14 (0.48) MAPK14MAPT

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-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP 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
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 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-20030092712-A1 (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents MAPK1, MAPK7, MAPKAPK2 ALDH1A1 867/4885MAPK14 5/4885MAPK13 11/4885

“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.