SCHEMBL4825795

SCHEMBL4825795

COc1ccc(CNc2ccc(-c3nn(C4CCNCC4)c4ncnc(N)c34)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.61
EGFR P00533 13/20 0.54
PIK3CD O00329 2/20 0.53
ABL1 P00519 2/20 0.53
HCK P08631 2/20 0.53
KDR P35968 2/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CB P42338 2/20 0.53
MTOR P42345 2/20 0.53
PIK3CG P48736 2/20 0.53
EPHB4 P54760 2/20 0.53
PRKDC P78527 2/20 0.53
PI4KB Q9UBF8 2/20 0.53
BTK Q06187 11/20 0.53
FGFR1 P11362 1/20 0.52
LCK P06239 2/20 0.52
TEK Q02763 1/20 0.52
LYN P07948 1/20 0.52

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
SCHEMBL4828237 0.90 SRC (0.57) SRCEGFRPIK3CDABL1HCK
SCHEMBL4822127 0.88 SRC (0.57) SRCEGFRPIK3CDABL1HCK
SCHEMBL6463749 0.87 LCK (0.69) SRCEGFRKDRBTKLCK
SCHEMBL6463745 0.87 LCK (0.69) SRCEGFRKDRBTKLCK
SCHEMBL24196857 0.86 BTK (0.68) SRCEGFRPIK3CDABL1HCK
SCHEMBL30415789 0.86 BTK (0.68) SRCEGFRPIK3CDABL1HCK
SCHEMBL4827168 0.86 BTK (0.55) SRCEGFRPIK3CDABL1HCK
SCHEMBL4826519 0.85 FGFR1 (0.59) SRCEGFRPIK3CDABL1HCK
SCHEMBL4824869 0.83 EGFR (0.57) SRCEGFRPIK3CDABL1HCK
SCHEMBL24196855 0.81 BTK (0.66) SRCEGFRPIK3CDABL1HCK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1379528-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH (DE) 2005-12-07 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
EP-1379528-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GmbH (DE) 2004-01-14 EP disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US 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
WO-2002076986-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-03 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 (3 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 SRC 46/4885EGFR 818/4885PIK3CD 470/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 SRC 2167/4885EGFR 1992/4885PIK3CD 1828/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885EGFR 2229/4885PIK3CD 1497/4885

“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.