SCHEMBL6437173

SCHEMBL6437173

CN1CCN([C@H]2CC[C@H](n3nc(-c4ccc(OCc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.80
SRC P12931 16/20 0.80
TEK Q02763 14/20 0.80
KDR P35968 6/20 0.80
BTK Q06187 3/20 0.80
NUDT14 O95848 1/20 0.68
NUDT5 Q9UKK9 1/20 0.68
LIMK1 P53667 1/20 0.65
LIMK2 P53671 1/20 0.65
PIK3CD O00329 1/20 0.64
PIK3CA P42336 1/20 0.64
PIK3CB P42338 1/20 0.64
PIK3CG P48736 1/20 0.64
PRKDC P78527 1/20 0.64
LYN P07948 1/20 0.59
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59
IGF1R P08069 1/20 0.59
ERBB3 P21860 1/20 0.59
ERBB4 Q15303 1/20 0.59

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
SCHEMBL6430349 1.00 LCK (0.80) LCKSRCTEKKDRBTK
SCHEMBL6430346 1.00 LCK (0.80) LCKSRCTEKKDRBTK
SCHEMBL6430568 0.89 BTK (1.00) LCKSRCTEKKDRBTK
SCHEMBL29763088 0.89 BTK (1.00) LCKSRCTEKKDRBTK
SCHEMBL6433141 0.89 BTK (1.00) LCKSRCTEKKDRBTK
SCHEMBL6430567 0.89 BTK (1.00) LCKSRCTEKKDRBTK
SCHEMBL5800942 0.87 BTK (0.77) LCKSRCTEKKDRBTK
SCHEMBL6432743 0.85 LCK (0.79) LCKSRCTEKKDRBTK
SCHEMBL6434044 0.85 LCK (0.79) LCKSRCTEKKDRBTK
SCHEMBL6432739 0.85 LCK (0.79) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO 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

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.