SCHEMBL5890599

SCHEMBL5890599

Fc1ccc(-c2nn3c(NC4CCCC4)c(Br)cc(Br)c3c2-c2nc(NC3CCCC3)ncc2Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
ADORA1 P30542 1/20 0.37
CSNK1D P48730 1/20 0.37
MAPK8 P45983 3/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CDK4 P11802 1/20 0.34
AURKA O14965 2/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34

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
SCHEMBL5890647 0.86 CSNK1D (0.49) CSNK1DMAPK8MAPK13MAPK12MAPK11
SCHEMBL6489239 0.76 ADORA1 (0.44) ALOX5ADORA1CSNK1DMAPK14CDK4
SCHEMBL21621292 0.76 ADORA1 (0.44) ADORA1CSNK1DMAPK8MAPK13MAPK12
SCHEMBL29947058 0.76 ADORA1 (0.44) ADORA1CSNK1DMAPK8MAPK13MAPK12
SCHEMBL5455134 0.70 ALOX5 (0.44) ALOX5ADORA1CSNK1DMAPK8MAPK14
SCHEMBL5456668 0.68 MAPK14 (0.48) ALOX5ADORA1CSNK1DMAPK8MAPK14
SCHEMBL5890920 0.67 CSNK1D (0.50) CSNK1DMAPK8MAPK13MAPK12MAPK11
SCHEMBL5216644 0.66 CSNK1D (0.49) CSNK1DMAPK8MAPK13MAPK12MAPK11
SCHEMBL5456838 0.66 CSNK1D (0.51) CSNK1DMAPK8MAPK13MAPK12MAPK11
SCHEMBL5890927 0.66 CDK4 (0.49) CSNK1DMAPK8MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 US claimed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP claimed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 US claimed
US-7030134-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-18 US disclosed
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 US disclosed
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds GUDMUNDSSON KRISTJAN (US) 2005-09-01 US disclosed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 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 (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-20040142941-A1 Therapeutic compounds PCSK9, ABCB1, ABCB11 ALOX5 1153/4885ADORA1 277/4885CSNK1D 466/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 ALOX5 2148/4885ADORA1 522/4885CSNK1D 479/4885

“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.