SCHEMBL6430440

SCHEMBL6430440

CN1CCC(N2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.87
NUDT14 O95848 2/20 0.87
NUDT5 Q9UKK9 2/20 0.87
LCK P06239 4/20 0.81
SRC P12931 3/20 0.81
TEK Q02763 3/20 0.81
KDR P35968 2/20 0.81
LYN P07948 1/20 0.71
EGFR P00533 1/20 0.63

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
SCHEMBL5803823 0.95 BTK (0.86) BTKNUDT14NUDT5LCKSRC
SCHEMBL5804616 0.94 BTK (0.93) BTKNUDT14NUDT5LCKSRC
SCHEMBL21341768 0.93 BTK (1.00) BTKNUDT14NUDT5LCKSRC
SCHEMBL19649129 0.92 BTK (0.89) BTKNUDT14NUDT5LCKSRC
SCHEMBL25068900 0.92 BTK (0.89) BTKNUDT14NUDT5LCKSRC
SCHEMBL16752446 0.90 BTK (0.80) BTKNUDT14NUDT5LCKSRC
SCHEMBL16939120 0.90 BTK (0.80) BTKNUDT14NUDT5LCKSRC
SCHEMBL16752403 0.90 BTK (0.80) BTKNUDT14NUDT5LCKSRC
SCHEMBL6430567 0.90 BTK (1.00) BTKNUDT14NUDT5LCKSRC
SCHEMBL29763088 0.90 BTK (1.00) BTKNUDT14NUDT5LCKSRC

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-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-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 BTK 42/4885NUDT14 2648/4885NUDT5 2284/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885NUDT14 162/4885NUDT5 203/4885

“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.