SCHEMBL5822885

SCHEMBL5822885

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(N)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.77
SRC P12931 12/20 0.77
TEK Q02763 10/20 0.77
KDR P35968 4/20 0.77
BTK Q06187 2/20 0.77
EGFR P00533 7/20 0.64
ERBB2 P04626 7/20 0.64
IGF1R P08069 7/20 0.64
ERBB3 P21860 7/20 0.64
ERBB4 Q15303 7/20 0.64
NUDT14 O95848 1/20 0.64
NUDT5 Q9UKK9 1/20 0.64
CSK P41240 2/20 0.57

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
SCHEMBL4818337 1.00 LCK (0.77) LCKSRCTEKKDRBTK
SCHEMBL4818329 1.00 LCK (0.77) LCKSRCTEKKDRBTK
SCHEMBL5803708 0.94 BTK (0.70) LCKSRCTEKKDRBTK
SCHEMBL5804624 0.92 SRC (0.75) LCKSRCTEKKDRBTK
SCHEMBL5804632 0.92 SRC (0.75) LCKSRCTEKKDRBTK
SCHEMBL6435012 0.92 SRC (0.75) LCKSRCTEKKDRBTK
SCHEMBL20351824 0.91 BTK (0.75) LCKSRCTEKKDRBTK
SCHEMBL6431294 0.90 LCK (0.72) LCKSRCTEKKDRBTK
SCHEMBL6432210 0.89 LCK (0.71) LCKSRCTEKKDRBTK
SCHEMBL6432204 0.89 LCK (0.71) LCKSRCTEKKDRBTK

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 7 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-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

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 LCK 1011/4885SRC 1834/4885TEK 1657/4885

“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.