SCHEMBL7228717

SCHEMBL7228717

c1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 17/20 1.00
MAPK12 P53778 17/20 1.00
MAPK11 Q15759 17/20 1.00
MAPK14 Q16539 17/20 1.00
RAF1 P04049 12/20 1.00
MAPK9 P45984 1/20 1.00
GCGR P47871 4/20 0.82
BRAF P15056 3/20 0.82
ALOX5 P09917 1/20 0.82
BRDT Q58F21 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
SCHEMBL2949385 1.00 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL20710613 0.93 MAPK13 (0.86) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5921859 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2650068 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL28486758 0.91 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469877 0.91 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL4552316 0.91 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469543 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469111 0.91 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9195042 0.91 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US claimed
US-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-12-15 US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 US disclosed
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-06-15 US disclosed
US-7826979-B2 Method of modeling complex formation between a query ligan and a target molecule VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US disclosed
US-7826979-B2 Method of modeling complex formation between a query ligan and a target molecule VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-02 US 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
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 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 (3 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-10865384-B2 2,4,5-tri-substituted azole-based casein kinase 1 inhibitors as inducers for cardiomyogenesis CSNK1A1, CSNK1G1, CSNK2A1 MAPK13 234/4885MAPK12 366/4885MAPK11 372/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 MAPK13 2219/4885MAPK12 3250/4885MAPK11 2198/4885
US-20170166867-A1 2,4,5-TRI-SUBSTITUTED AZOLE-BASED CASEIN KINASE 1 INHIBITORS AS INDUCERS FOR CARDIOMYOGENESIS CSNK1A1, CSNK1G1, CSNK2A1 MAPK13 234/4885MAPK12 366/4885MAPK11 372/4885

“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.