SCHEMBL1640306

SCHEMBL1640306

CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 1.00
BRDT Q58F21 5/20 0.75
BRD4 O60885 4/20 0.75
BRD2 P25440 1/20 0.75
BRD3 Q15059 1/20 0.75
PRKD3 O94806 2/20 0.73
MAP4K4 O95819 2/20 0.73
PRKACA P17612 2/20 0.73
CSNK1A1 P48729 2/20 0.73
CSNK1D P48730 2/20 0.73
MINK1 Q8N4C8 2/20 0.73
MAP4K5 Q9Y4K4 2/20 0.73
MAPK11 Q15759 2/20 0.73
MAPK13 O15264 1/20 0.73
RIPK2 O43353 1/20 0.73
DYRK3 O43781 1/20 0.73
PRKCG P05129 1/20 0.73
LCK P06239 1/20 0.73
LYN P07948 1/20 0.73
RET P07949 1/20 0.73

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
SCHEMBL13167691 0.90 MAPK14 (0.81) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL21797183 0.90 MAPK14 (0.83) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL1641005 0.90 MAPK14 (0.81) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL24170595 0.89 MAPK14 (0.81) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL24170876 0.89 MAPK14 (1.00) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL27441160 0.88 MAPK14 (1.00) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL24170875 0.88 MAPK14 (0.80) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL24170872 0.87 MAPK14 (0.78) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL22730369 0.86 MAPK14 (0.85) MAPK14BRDTBRD4BRD2BRD3
SCHEMBL6581980 0.86 MAPK14 (1.00) MAPK14BRDTBRD4BRD2BRD3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177299-A Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine SMITHKLINE BEECHAM CORP (US) 1998-03-25 CN claimed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
EP-2493876-B1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER (US) 2014-02-12 EP disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
US-8518944-B2 Compounds as casein kinase inhibitors PFIZER INC. (US) 2013-08-27 US disclosed
CN-102686580-A Imidazole derivatives as casein kinase inhibitors PFIZER 2012-09-19 CN disclosed
WO-2011051858-A1 IMIDAZOLE DERIVATIVES AS CASEIN KINASE INHIBITORS PFIZER INC. (US) 2011-05-05 WO disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors PFIZER INC 2011-04-28 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-7037912-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2006-05-02 US disclosed
US-20050261318-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease THERAVANCE BIOPHARMA R&D IP, LLC 2004-11-25 US disclosed
US-6750241-B2 Protein kinase inhibitors THERAVANCE, INC. 2004-06-15 US disclosed
US-20020177600-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-11-28 US disclosed
US-20020002169-A1 Protein kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC 2002-01-03 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 (5 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-20020177600-A1 Protein kinase inhibitors MAP3K20, MAP3K9, MAP3K6 MAPK14 136/4885BRDT 649/4885BRD4 1018/4885
US-20020002169-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 MAPK14 132/4885BRDT 618/4885BRD4 1032/4885
US-20050261318-A1 Protein kinase inhibitors MAP3K20, MAP3K6, MAP4K2 MAPK14 132/4885BRDT 618/4885BRD4 1032/4885
US-20040235870-A1 Enzyme inhibitor contains two or more ligand moieties comprising pyrimidinyl groups covalently linked together by linking groups; keratitis, diabetic retinopathy, angiogenesis, vision defects, ischemia, atherosclerosis,psoriasis, cancer, cirrhosis, diabetes, arthritis, autoimmune disease UACA, PRKDC, CDK2 MAPK14 421/4885BRDT 1144/4885BRD4 1050/4885
US-20110098272-A1 Novel Compounds As Casein Kinase Inhibitors CSNK1A1, CSNK1A1L, CSNK1G1 MAPK14 169/4885BRDT 829/4885BRD4 803/4885

“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.