SCHEMBL5801898

SCHEMBL5801898

N#Cc1cccnc1-n1nc(-c2ccc(N)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 18/20 0.54
▸ EGFR P00533 15/20 0.54
▸ PIK3CD O00329 15/20 0.54
▸ PIK3CA P42336 15/20 0.54
▸ PIK3CG P48736 15/20 0.54
▸ PRKDC P78527 15/20 0.54
▸ ABL1 P00519 14/20 0.54
▸ HCK P08631 14/20 0.54
▸ KDR P35968 14/20 0.54
▸ MTOR P42345 14/20 0.54
▸ EPHB4 P54760 14/20 0.54
▸ PIK3CB P42338 14/20 0.54
▸ PI4KB Q9UBF8 5/20 0.42
▸ BACE1 P56817 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
SCHEMBL5802029 0.80 ABL1 (0.51) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL27604499 0.79 SRC (0.50) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL5801327 0.79 AURKA (0.56) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL23997145 0.77 SRC (0.55) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL30320501 0.77 SRC (0.55) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL5801670 0.77 KDM4E (0.41) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL21436578 0.75 PIK3CD (0.65) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL30320603 0.75 PIK3CD (0.65) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL6430744 0.74 EGFR (0.51) SRCEGFRPIK3CDPIK3CAPIK3CG
SCHEMBL6431773 0.73 EGFR (0.54) SRCEGFRPIK3CDPIK3CAPIK3CG

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 SRC 1834/4885EGFR 2229/4885PIK3CD 1497/4885

“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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