SCHEMBL5802029

SCHEMBL5802029

CC(C)(C)OC(=O)Nc1ccc(-c2nn(-c3ncccc3C#N)c3ncnc(N)c23)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 11/20 0.51
▸ PIK3CD O00329 5/20 0.51
▸ EGFR P00533 5/20 0.51
▸ KDR P35968 5/20 0.51
▸ PIK3CA P42336 5/20 0.51
▸ PIK3CG P48736 5/20 0.51
▸ PRKDC P78527 5/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ SRC P12931 8/20 0.49
▸ HCK P08631 5/20 0.49
▸ PIK3CB P42338 4/20 0.49
▸ MTOR P42345 4/20 0.49
▸ EPHB4 P54760 4/20 0.49
▸ RIPK1 Q13546 5/20 0.48
▸ PTK6 Q13882 6/20 0.45
▸ FYN P06241 2/20 0.44
▸ CYP17A1 P05093 1/20 0.41
▸ EGLN2 Q96KS0 1/20 0.41
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL5801327 0.85 AURKA (0.56) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL5801898 0.80 SRC (0.54) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL6431834 0.74 ABL1 (0.57) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL5801348 0.73 ABL1 (0.57) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL6430376 0.73 ABL1 (0.55) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL13828434 0.69 RIPK1 (0.65) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL27088072 0.69 KDR (0.57) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL29999058 0.69 KDR (0.57) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL5801335 0.68 ABL1 (0.67) ABL1PIK3CDEGFRKDRPIK3CA
SCHEMBL2429870 0.68 ABL1 (1.00) ABL1PIK3CDEGFRKDRPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 — — EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 — — US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 — — EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 — — US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 — — WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 — — EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 — — 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 (1 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 ABL1 124/4885PIK3CD 1497/4885EGFR 2229/4885

“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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