SCHEMBL5801308

SCHEMBL5801308

Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)nn2C1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 4/20 0.67
LCK P06239 3/20 0.67
BTK Q06187 1/20 0.67
IGF1R P08069 7/20 0.67
PIK3CD O00329 12/20 0.66
PIK3CA P42336 12/20 0.66
PIK3CB P42338 12/20 0.66
PIK3CG P48736 12/20 0.66
PRKDC P78527 12/20 0.66
KDR P35968 13/20 0.58
SRC P12931 13/20 0.58
HCK P08631 12/20 0.58
ABL1 P00519 11/20 0.58
EGFR P00533 11/20 0.58
MTOR P42345 11/20 0.58
EPHB4 P54760 11/20 0.58
PI4KB Q9UBF8 8/20 0.58
INSR P06213 4/20 0.58
ROCK2 O75116 3/20 0.58
CHEK2 O96017 2/20 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
SCHEMBL15613546 0.90 BTK (0.79) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL5800942 0.89 BTK (0.77) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL15613695 0.86 BTK (0.79) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL19335162 0.83 BTK (0.80) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL15613699 0.82 BTK (0.67) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL15613472 0.82 BTK (0.69) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL16886143 0.82 BTK (0.69) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL15613640 0.82 BTK (0.69) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL22364036 0.82 BTK (0.79) LYNLCKBTKPIK3CDPIK3CA
SCHEMBL19335138 0.82 BTK (0.79) LYNLCKBTKPIK3CDPIK3CA

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

“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.