SCHEMBL5803613

SCHEMBL5803613

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCN(CC(=O)O)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.73
NUDT14 O95848 2/20 0.73
NUDT5 Q9UKK9 2/20 0.73
LCK P06239 7/20 0.72
LYN P07948 3/20 0.72
EGFR P00533 7/20 0.72
ITK Q08881 5/20 0.68
SRC P12931 3/20 0.66
KDR P35968 2/20 0.66
TEK Q02763 1/20 0.66
TEC P42680 3/20 0.65
BMX P51813 3/20 0.65
ABL1 P00519 2/20 0.65
ERBB2 P04626 2/20 0.65
FYN P06241 2/20 0.65
YES1 P07947 2/20 0.65
HCK P08631 2/20 0.65
FGR P09769 2/20 0.65
FER P16591 2/20 0.65
CSK P41240 2/20 0.65

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
SCHEMBL28475173 0.91 BTK (0.69) BTKNUDT14NUDT5LCKLYN
SCHEMBL28409758 0.90 BTK (0.78) BTKNUDT14NUDT5LCKLYN
SCHEMBL28409686 0.90 BTK (0.78) BTKNUDT14NUDT5LCKLYN
SCHEMBL28409697 0.90 BTK (0.78) BTKNUDT14NUDT5LCKLYN
SCHEMBL5801346 0.89 BTK (0.68) BTKNUDT14NUDT5LCKLYN
SCHEMBL30172729 0.88 BTK (0.65) BTKNUDT14NUDT5LCKLYN
SCHEMBL28927585 0.88 BTK (0.65) BTKNUDT14NUDT5LCKLYN
SCHEMBL22777861 0.88 BTK (0.82) BTKNUDT14NUDT5LCKLYN
SCHEMBL22720988 0.88 BTK (0.80) BTKNUDT14NUDT5LCKLYN
SCHEMBL29836384 0.87 BTK (0.59) BTKNUDT14NUDT5LCKLYN

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 9 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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN 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 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.