SCHEMBL5890752

SCHEMBL5890752

Clc1cc(NC2CCCC2)n2nc(-c3ccc(OCC4CC4)cc3)c(-c3ccnc(NC4CC4)n3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.40
MAPK10 P53779 4/20 0.40
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
IKBKB O14920 4/20 0.39
CDK4 P11802 3/20 0.38
GSK3B P49841 1/20 0.38
KDR P35968 1/20 0.37
CSNK1D P48730 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL5890487 1.00 EIF2AK2 (0.40) EIF2AK2MAPK10MAPK8MAPK9IKBKB
SCHEMBL5890244 0.99 EIF2AK2 (0.41) EIF2AK2MAPK10MAPK8MAPK9IKBKB
SCHEMBL6105163 0.90 CDK4 (0.42) EIF2AK2MAPK10MAPK8MAPK9CDK4
SCHEMBL5890058 0.89 EIF2AK2 (0.49) EIF2AK2MAPK10MAPK8MAPK9IKBKB
SCHEMBL5890754 0.89 EIF2AK2 (0.49) EIF2AK2MAPK10MAPK8MAPK9IKBKB
SCHEMBL6106053 0.89 MAPK10 (0.42) EIF2AK2MAPK10MAPK8MAPK9CDK4
SCHEMBL5890132 0.88 EIF2AK2 (0.49) EIF2AK2MAPK10MAPK8MAPK9IKBKB
SCHEMBL6106898 0.87 CDK4 (0.44) EIF2AK2MAPK10MAPK8CDK4GSK3B
SCHEMBL6105456 0.87 MAPK10 (0.42) EIF2AK2MAPK10MAPK8MAPK9CDK4
SCHEMBL5890654 0.86 EIF2AK2 (0.44) EIF2AK2MAPK10MAPK8MAPK9IKBKB

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 EIF2AK2 3551/4885MAPK10 2318/4885MAPK8 4105/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 EIF2AK2 1588/4885MAPK10 2460/4885MAPK8 1509/4885

“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.