SCHEMBL4819733

SCHEMBL4819733

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Nc5ncccn5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 10/20 0.83
SRC P12931 10/20 0.83
TEK Q02763 10/20 0.83
KDR P35968 4/20 0.83
EGFR P00533 9/20 0.70
ERBB2 P04626 9/20 0.70
IGF1R P08069 9/20 0.70
ERBB3 P21860 9/20 0.70
ERBB4 Q15303 9/20 0.70
BTK Q06187 2/20 0.69
NUDT14 O95848 1/20 0.58
NUDT5 Q9UKK9 1/20 0.58

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
SCHEMBL4819730 1.00 LCK (0.83) LCKSRCTEKKDREGFR
SCHEMBL5786264 0.91 SRC (1.00) LCKSRCTEKKDREGFR
SCHEMBL5786266 0.91 SRC (1.00) LCKSRCTEKKDREGFR
SCHEMBL5822885 0.85 LCK (0.77) LCKSRCTEKKDREGFR
SCHEMBL4818337 0.85 LCK (0.77) LCKSRCTEKKDREGFR
SCHEMBL4818329 0.85 LCK (0.77) LCKSRCTEKKDREGFR
SCHEMBL6430321 0.84 SRC (0.77) LCKSRCTEKKDREGFR
SCHEMBL6430324 0.84 SRC (0.77) LCKSRCTEKKDREGFR
SCHEMBL5804624 0.84 SRC (0.75) LCKSRCTEKKDREGFR
SCHEMBL6435012 0.84 SRC (0.75) LCKSRCTEKKDREGFR

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 5 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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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 (3 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LCK 1/4885SRC 46/4885TEK 1465/4885
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.