SCHEMBL5800942

SCHEMBL5800942

Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)nn2C1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.77
LCK P06239 2/20 0.77
LYN P07948 1/20 0.77
PIK3CD O00329 8/20 0.67
PIK3CA P42336 8/20 0.67
PIK3CB P42338 8/20 0.67
PIK3CG P48736 8/20 0.67
PRKDC P78527 8/20 0.67
NUDT14 O95848 1/20 0.63
NUDT5 Q9UKK9 1/20 0.63
SRC P12931 7/20 0.59
KDR P35968 7/20 0.59
TEK Q02763 1/20 0.59
EGFR P00533 8/20 0.58
ABL1 P00519 6/20 0.58
HCK P08631 6/20 0.58
MTOR P42345 6/20 0.58
EPHB4 P54760 6/20 0.58
PI4KB Q9UBF8 3/20 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
SCHEMBL15613695 0.91 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL15613546 0.91 BTK (0.79) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL5801308 0.89 LYN (0.67) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL30586962 0.87 BTK (1.00) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL6431516 0.87 BTK (1.00) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL6437173 0.87 LCK (0.80) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL6430349 0.87 LCK (0.80) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL6430346 0.87 LCK (0.80) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL17713980 0.86 BTK (0.98) BTKLCKLYNPIK3CDPIK3CA
SCHEMBL19335162 0.86 BTK (0.80) BTKLCKLYNPIK3CDPIK3CA

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 BTK 42/4885LCK 1/4885LYN 72/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885LCK 1011/4885LYN 1034/4885

“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.