SCHEMBL5801320

SCHEMBL5801320

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(Oc5ccccc5C#N)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.77
SRC P12931 13/20 0.77
TEK Q02763 13/20 0.77
BTK Q06187 7/20 0.77
KDR P35968 6/20 0.77
NUDT14 O95848 1/20 0.66
NUDT5 Q9UKK9 1/20 0.66
EGFR P00533 4/20 0.62
ERBB2 P04626 3/20 0.62
ERBB4 Q15303 3/20 0.62
IGF1R P08069 2/20 0.62
ERBB3 P21860 2/20 0.62
LYN P07948 2/20 0.57
LIMK1 P53667 2/20 0.53
ITK Q08881 2/20 0.53
PLK4 O00444 1/20 0.53
DCLK1 O15075 1/20 0.53
PDPK1 O15530 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53

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
SCHEMBL5801316 1.00 LCK (0.77) LCKSRCTEKBTKKDR
SCHEMBL6432474 0.89 LCK (0.83) LCKSRCTEKBTKKDR
SCHEMBL6432477 0.89 LCK (0.83) LCKSRCTEKBTKKDR
SCHEMBL6430350 0.88 LCK (0.80) LCKSRCTEKBTKKDR
SCHEMBL6430347 0.88 LCK (0.80) LCKSRCTEKBTKKDR
SCHEMBL6430567 0.87 BTK (1.00) LCKSRCTEKBTKKDR
SCHEMBL6433141 0.87 BTK (1.00) LCKSRCTEKBTKKDR
SCHEMBL6430568 0.87 BTK (1.00) LCKSRCTEKBTKKDR
SCHEMBL29763088 0.87 BTK (1.00) LCKSRCTEKBTKKDR
Acetic Acid SCHEMBL7045379 0.87 LCK (0.63) LCKSRCTEKBTKKDR

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 8 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
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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 (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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LCK 1/4885SRC 46/4885TEK 1465/4885
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.