SCHEMBL4828169

SCHEMBL4828169

Cc1nn([C@H]2CC[C@@H](N3CCN(C)CC3)CC2)c2ncnc(N)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.61
SRC P12931 12/20 0.61
TEK Q02763 11/20 0.61
KDR P35968 6/20 0.61
BTK Q06187 3/20 0.61
EGFR P00533 8/20 0.52
ERBB2 P04626 8/20 0.52
ERBB4 Q15303 8/20 0.52
IGF1R P08069 7/20 0.52
ERBB3 P21860 7/20 0.52
PLK4 O00444 2/20 0.50
PRKD3 O94806 2/20 0.50
MAP4K4 O95819 2/20 0.50
NTRK1 P04629 2/20 0.50
INSR P06213 2/20 0.50
FYN P06241 2/20 0.50
RET P07949 2/20 0.50
ROS1 P08922 2/20 0.50
FER P16591 2/20 0.50
RPS6KB1 P23443 2/20 0.50

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
SCHEMBL4828163 1.00 LCK (0.61) LCKSRCTEKKDRBTK
SCHEMBL23873623 0.92 NUDT14 (0.54) LCKSRCTEKKDRBTK
SCHEMBL10261914 0.89 NUDT14 (0.58) LCKSRCTEKKDRBTK
SCHEMBL24096479 0.88 SRC (0.61) LCKSRCKDRBTKEGFR
SCHEMBL760440 0.88 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL23847532 0.88 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL2960034 0.88 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL760441 0.88 LCK (0.67) LCKSRCTEKKDRBTK
SCHEMBL5822885 0.83 LCK (0.77) LCKSRCTEKKDRBTK
SCHEMBL4818337 0.83 LCK (0.77) 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 4 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
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US 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

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 LCK 1534/4885SRC 2167/4885TEK 1218/4885
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.