SCHEMBL6162567

SCHEMBL6162567

CC(=O)c1ccc(F)cc1-c1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
FRK P42685 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CASP6 P55212 1/20 0.43
GRM1 Q13255 1/20 0.40
F2 P00734 1/20 0.38
CDK9 P50750 1/20 0.38
JAK2 O60674 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
KMO O15229 2/20 0.38
MAPK14 Q16539 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CYP3A4 P08684 2/20 0.36
ADORA2B P29275 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 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
SCHEMBL22719310 0.87 CAMKK2 (0.47) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL22719330 0.85 SLC6A4 (0.47) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL8323880 0.81 HCRTR1 (0.52) CASP6KDM4CHCRTR1HCRTR2
SCHEMBL22728425 0.78 KDM4C (0.54) MAP4K4CSNK1A1CDK9JAK2MAPK14
SCHEMBL2645320 0.78 MAPK14 (0.54) MAPK14ADORA2B
SCHEMBL22719444 0.78 KMO (0.48) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL29453773 0.78 KMO (0.48) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL25184191 0.76 MAPK9 (0.47) MAP4K4EGFRFRKMAPK9CSNK1A1
SCHEMBL15836282 0.75 HCRTR1 (0.49) CASP6KDM4CHCRTR1HCRTR2MAOB
SCHEMBL6217549 0.75 LMNA (0.45) CDK9KMOMAPK14KDM4CHCRTR1

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-0943616-B1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
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
EP-0943616-A1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-09-22 EP disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 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 MAP4K4 1484/4885EGFR 1530/4885FRK 2386/4885

“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.