SCHEMBL1388052

SCHEMBL1388052

CSc1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 1.00
MAPK14 Q16539 15/20 0.72
CSNK1D P48730 5/20 0.72
CSNK1E P49674 3/20 0.72
MAPK13 O15264 12/20 0.69
MAPK12 P53778 12/20 0.69
MAPK11 Q15759 12/20 0.69
GCGR P47871 11/20 0.69
PRKD3 O94806 2/20 0.67
MAP4K4 O95819 2/20 0.67
FRK P42685 2/20 0.67
MAPK9 P45984 2/20 0.67
CSNK1A1 P48729 2/20 0.67
GSK3B P49841 2/20 0.67
PRKD2 Q9BZL6 2/20 0.67
CLK4 Q9HAZ1 2/20 0.67
LCK P06239 1/20 0.67
RET P07949 1/20 0.67
PRKACA P17612 1/20 0.67
RPS6KB1 P23443 1/20 0.67

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
SCHEMBL17002223 0.84 MAPK14 (0.77) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL30197605 0.84 MAPK14 (1.00) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL17002317 0.84 MAPK14 (1.00) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL14648344 0.83 ALOX5 (0.70) ALOX5MAPK14MAPK13MAPK12MAPK11
SCHEMBL6449484 0.82 MAPK14 (0.73) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6450700 0.81 MAPK14 (0.77) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL4563107 0.81 ALOX5 (1.00) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL17002225 0.81 MAPK14 (0.77) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL6003680 0.81 MAPK14 (1.00) ALOX5MAPK14CSNK1DCSNK1EMAPK13
SCHEMBL2650029 0.81 MAPK14 (1.00) ALOX5MAPK14CSNK1DCSNK1EMAPK13

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889887-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-06-11 EP claimed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US claimed
US-6235760-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-05-22 US claimed
EP-0906099-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2001-02-07 EP claimed
EP-0906099-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-04-07 EP claimed
EP-0889887-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP claimed
WO-1997036587-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-09 WO claimed
WO-1997035855-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO claimed
JP-H09500137-A 1997-01-07 JP claimed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP claimed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP claimed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO claimed
EP-1539121-A4 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2008-08-13 EP disclosed
EP-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
EP-0708768-A4 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORP (US) 1996-08-21 EP disclosed
EP-0708768-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 WO disclosed
WO-1995002591-A1 TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 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 ALOX5 2555/4885MAPK14 3769/4885CSNK1D 1702/4885

“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.