SCHEMBL2648503

SCHEMBL2648503

COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 17/20 1.00
MAPK14 Q16539 17/20 1.00
MAPK13 O15264 16/20 1.00
MAPK12 P53778 16/20 1.00
GCGR P47871 15/20 1.00
ALOX5 P09917 12/20 1.00
CSNK1A1 P48729 5/20 0.79
CSNK1D P48730 5/20 0.79
PRKD3 O94806 4/20 0.79
MAP4K4 O95819 4/20 0.79
FRK P42685 4/20 0.79
MAPK9 P45984 4/20 0.79
GSK3B P49841 4/20 0.79
CLK4 Q9HAZ1 3/20 0.79
PTK6 Q13882 3/20 0.79
PRKD2 Q9BZL6 3/20 0.79
RAF1 P04049 3/20 0.79
PRKACA P17612 3/20 0.70
SLK Q9H2G2 3/20 0.70
ALDH1A1 P00352 3/20 0.70

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
SCHEMBL11082212 0.93 MAPK13 (0.87) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL15075611 0.93 MAPK13 (0.89) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL15075603 0.89 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL19868925 0.89 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL19952909 0.88 MAPK13 (0.78) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6469341 0.88 MAPK13 (1.00) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6164173 0.87 MAPK13 (0.79) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6469323 0.87 MAPK13 (0.79) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL6452661 0.87 MAPK14 (0.76) MAPK11MAPK14MAPK13MAPK12GCGR
SCHEMBL13497841 0.86 MAPK11 (0.76) MAPK11MAPK14MAPK13MAPK12GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US claimed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP claimed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 WO claimed
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
EP-0959885-A4 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO INC (US) 2002-07-17 EP claimed
US-6288089-B1 ADMINISTERING A COMPOSITION OF PYRIDYL IMIDAZOLE COMPOUNDS TO TREAT PARKINSON'S DISEASE, HUNTINGTON'S DISEASE, ALZHEIMER'S DISEASE, AND AMYOTOPHIC LATERAL SCLEROSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-09-11 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-0959885-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE Merck & Co., Inc. (US) 1999-12-01 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-1998022108-A1 TRIARYL SUBSTITUTED IMIDAZOLES AND METHODS OF USE MERCK & CO., INC. (US) 1998-05-28 WO 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
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed
US-20200078387-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY 2020-03-12 US disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 WO 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 (2 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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D MAPK11 1215/4885MAPK14 662/4885MAPK13 456/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK11 2198/4885MAPK14 3769/4885MAPK13 2219/4885

“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.