SCHEMBL4342847

SCHEMBL4342847

CS(=O)(=O)N1CCN(c2ccc(-c3cc4c(N[C@H]5CCCN(C(=O)O)C5)ncc(C#N)c4s3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.47
▸ PIK3CD O00329 12/20 0.41
▸ PIK3CA P42336 3/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ BTK Q06187 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL4357649 0.88 CHEK1 (0.47) CHEK1PIK3CDKCNH2
SCHEMBL3075706 0.85 CHEK1 (0.59) CHEK1PIK3CDPIK3CAKCNH2
SCHEMBL4349670 0.79 CHEK1 (0.46) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4350214 0.77 JAK3 (0.44) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3070658 0.77 CHEK1 (0.46) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4348134 0.76 CHEK1 (0.48) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3079109 0.75 CHEK1 (0.53) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4350029 0.75 PIK3CD (0.49) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4349145 0.75 CHEK1 (0.69) CHEK1KCNH2
SCHEMBL4342574 0.75 CHEK1 (0.45) CHEK1PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 — — US disclosed
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 — — US disclosed
EP-2004653-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 — — EP disclosed
WO-2007113000-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 — — 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 (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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CHEK1 1/4885PIK3CD 218/4885PIK3CA 150/4885
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK CHEK1 125/4885PIK3CD 165/4885PIK3CA 85/4885

“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.

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