SCHEMBL4826519

SCHEMBL4826519

COc1ccccc1CNc1ccc(-c2nn(C3CCNCC3)c3ncnc(N)c23)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.59
EGFR P00533 16/20 0.57
ERBB2 P04626 2/20 0.57
IGF1R P08069 2/20 0.57
SRC P12931 7/20 0.56
KDR P35968 5/20 0.56
PIK3CD O00329 4/20 0.56
ABL1 P00519 4/20 0.56
HCK P08631 4/20 0.56
PIK3CA P42336 4/20 0.56
PIK3CB P42338 4/20 0.56
MTOR P42345 4/20 0.56
PIK3CG P48736 4/20 0.56
EPHB4 P54760 4/20 0.56
PRKDC P78527 4/20 0.56
PI4KB Q9UBF8 4/20 0.56
BTK Q06187 5/20 0.55
LCK P06239 1/20 0.54
TEK Q02763 1/20 0.54

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
SCHEMBL4824869 0.89 EGFR (0.57) FGFR1EGFRERBB2IGF1RSRC
SCHEMBL6245151 0.87 EGFR (0.44) FGFR1EGFRERBB2IGF1RSRC
SCHEMBL6457910 0.87 LCK (0.70) EGFRERBB2IGF1RSRCKDR
SCHEMBL6457906 0.87 LCK (0.70) EGFRERBB2IGF1RSRCKDR
SCHEMBL4822127 0.85 SRC (0.57) EGFRSRCKDRPIK3CDABL1
SCHEMBL4825795 0.85 SRC (0.61) FGFR1EGFRSRCKDRPIK3CD
SCHEMBL4828237 0.84 SRC (0.57) FGFR1EGFRSRCKDRPIK3CD
SCHEMBL25470570 0.83 BTK (0.65) FGFR1EGFRSRCKDRPIK3CD
SCHEMBL4826841 0.80 SRC (0.57) FGFR1EGFRSRCKDRPIK3CD
SCHEMBL6431496 0.80 LCK (0.69) EGFRERBB2IGF1RSRCKDR

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
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US 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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO 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-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 FGFR1 1437/4885EGFR 818/4885ERBB2 894/4885
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 FGFR1 242/4885EGFR 1992/4885ERBB2 682/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 FGFR1 282/4885EGFR 2229/4885ERBB2 529/4885

“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.