SCHEMBL5804210

SCHEMBL5804210

Nc1ccc(-c2nn(C3CCNCC3)c3ncnc(N)c23)cc1F

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 0.69
▸ PIK3CD O00329 18/20 0.69
▸ PIK3CA P42336 18/20 0.69
▸ PIK3CB P42338 18/20 0.69
▸ PIK3CG P48736 18/20 0.69
▸ PRKDC P78527 18/20 0.69
▸ ABL1 P00519 17/20 0.69
▸ EGFR P00533 17/20 0.69
▸ HCK P08631 17/20 0.69
▸ KDR P35968 17/20 0.69
▸ MTOR P42345 17/20 0.69
▸ EPHB4 P54760 16/20 0.69
▸ PI4KB Q9UBF8 13/20 0.69

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
SCHEMBL24096758 0.92 PIK3CD (0.69) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29998830 0.92 PIK3CD (0.69) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30320600 0.90 PIK3CD (0.77) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23997147 0.90 PIK3CD (0.77) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL27088080 0.88 PIK3CD (0.70) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096515 0.87 PIK3CD (0.66) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30320504 0.87 PIK3CD (0.66) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24096530 0.86 SRC (0.66) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5804212 0.86 PIK3CD (0.62) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30320556 0.86 SRC (0.66) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021226547-A2 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. (US) 2021-11-11 — — WO disclosed
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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 — — CN 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 1834/4885PIK3CD 1497/4885PIK3CA 419/4885

“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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