SCHEMBL5220849

SCHEMBL5220849

COc1ccc(-c2nn3ccc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 2/20 0.50
GSK3B P49841 5/20 0.45
IKBKB O14920 3/20 0.44
MAPK10 P53779 4/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
MAPK8 P45983 3/20 0.42
MAPK9 P45984 3/20 0.42
CREBBP Q92793 1/20 0.41

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
SCHEMBL5214934 0.90 EIF2AK2 (0.51) EIF2AK2GSK3BMAPK10MAPK8MAPK9
SCHEMBL5214973 0.88 CSNK1D (0.51) EIF2AK2GSK3BIKBKBMAPK10MAPK8
SCHEMBL5890307 0.88 EIF2AK2 (0.50) EIF2AK2GSK3BIKBKBMAPK10PIK3CA
SCHEMBL5725747 0.87 EIF2AK2 (0.48) EIF2AK2GSK3BMAPK10MAPK8MAPK9
SCHEMBL5890132 0.87 EIF2AK2 (0.49) EIF2AK2GSK3BIKBKBMAPK10PIK3CA
SCHEMBL5890754 0.86 EIF2AK2 (0.49) EIF2AK2GSK3BIKBKBMAPK10PIK3CA
SCHEMBL5890058 0.86 EIF2AK2 (0.49) EIF2AK2GSK3BIKBKBMAPK10PIK3CA
SCHEMBL6485620 0.85 IKBKB (0.41) EIF2AK2IKBKBMAPK10MAPK8MAPK9
SCHEMBL5726242 0.84 EIF2AK2 (0.47) EIF2AK2GSK3BIKBKBMAPK10PIK3CA
SCHEMBL6105006 0.82 GSK3B (0.49) EIF2AK2GSK3BIKBKBMAPK10MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed
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-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US 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 (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-20040142941-A1 Therapeutic compounds PCSK9, ABCB1, ABCB11 EIF2AK2 3551/4885GSK3B 1245/4885IKBKB 1569/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 EIF2AK2 57/4885GSK3B 3047/4885IKBKB 2389/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 EIF2AK2 1588/4885GSK3B 2173/4885IKBKB 1533/4885

“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.