SCHEMBL4824869

SCHEMBL4824869

COc1ncccc1CNc1ccc(-c2nn(C3CCNCC3)c3ncnc(N)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.57
BTK Q06187 5/20 0.57
SRC P12931 12/20 0.53
FGFR1 P11362 1/20 0.51
KDR P35968 9/20 0.51
PIK3CD O00329 7/20 0.51
ABL1 P00519 7/20 0.51
HCK P08631 7/20 0.51
PIK3CA P42336 7/20 0.51
PIK3CB P42338 7/20 0.51
MTOR P42345 7/20 0.51
PIK3CG P48736 7/20 0.51
EPHB4 P54760 7/20 0.51
PRKDC P78527 7/20 0.51
PI4KB Q9UBF8 6/20 0.51
LCK P06239 4/20 0.51
TEK Q02763 3/20 0.51
ERBB2 P04626 1/20 0.47
IGF1R P08069 1/20 0.47
LYN P07948 1/20 0.47

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
SCHEMBL5812688 0.89 EGFR (0.44) EGFRBTKSRCFGFR1KDR
SCHEMBL4826519 0.89 FGFR1 (0.59) EGFRBTKSRCFGFR1KDR
SCHEMBL4819029 0.88 LCK (0.65) EGFRBTKSRCKDRLCK
SCHEMBL4819033 0.88 LCK (0.65) EGFRBTKSRCKDRLCK
SCHEMBL4828237 0.84 SRC (0.57) EGFRBTKSRCFGFR1KDR
SCHEMBL4822127 0.84 SRC (0.57) EGFRBTKSRCKDRPIK3CD
SCHEMBL4825795 0.83 SRC (0.61) EGFRBTKSRCFGFR1KDR
SCHEMBL6272921 0.83 EGFR (0.40) EGFRBTKSRCFGFR1KDR
SCHEMBL4826841 0.79 SRC (0.57) EGFRBTKSRCFGFR1KDR
SCHEMBL4827168 0.78 BTK (0.55) EGFRBTKSRCKDRPIK3CD

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 EGFR 818/4885BTK 42/4885SRC 46/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 EGFR 1992/4885BTK 1399/4885SRC 2167/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 EGFR 2229/4885BTK 1020/4885SRC 1834/4885

“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.