SCHEMBL4825100

SCHEMBL4825100

CN1CCN(CCCn2nc(I)c3c(N)ncnc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.56
▸ YES1 P07947 2/20 0.56
▸ FGR P09769 2/20 0.56
▸ PIK3CD O00329 1/20 0.52
▸ FGFR1 P11362 13/20 0.46
▸ FGFR2 P21802 12/20 0.46
▸ FGFR3 P22607 11/20 0.46
▸ FGFR4 P22455 10/20 0.46
▸ FYN P06241 2/20 0.44
▸ LYN P07948 1/20 0.44
▸ CDC7 O00311 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ INSR P06213 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ CDK1 P06493 1/20 0.43

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
SCHEMBL18258356 0.92 SRC (0.64) SRCYES1FGRPIK3CDFGFR1
SCHEMBL4823820 0.86 SRC (0.44) SRCYES1FGRPIK3CDFGFR1
SCHEMBL28472880 0.84 FGFR2 (0.47) SRCYES1FGRPIK3CDFGFR1
SCHEMBL21293809 0.81 ADORA2A (0.48) SRCPIK3CDFYNCDC7PLK4
SCHEMBL25678087 0.80 RET (0.52) SRCPIK3CDFYNCDC7PLK4
SCHEMBL19283009 0.80 ADK (0.49) SRCPIK3CDFYNCDC7PLK4
SCHEMBL6248086 0.79 YES1 (0.39) SRCYES1FGRPIK3CDFGFR1
SCHEMBL23063891 0.79 SRC (0.46) SRCPIK3CDFYNCDC7PLK4
SCHEMBL20553120 0.79 ADK (0.46) SRCPIK3CDFYNCDC7PLK4
SCHEMBL4828016 0.79 SRC (0.46) SRCYES1FGRPIK3CDFYN

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
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 — — US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 — — EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 — — EP disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 — — US disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 — — EP disclosed
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 — — EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 — — US 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
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 — — 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885YES1 3390/4885FGR 232/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885YES1 2980/4885FGR 583/4885

“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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