SCHEMBL2074967

SCHEMBL2074967

CC(=O)c1ccc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.84
TEK Q02763 15/20 0.84
LCK P06239 12/20 0.84
SRC P12931 5/20 0.74
HCK P08631 3/20 0.54
PIK3CD O00329 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
PRKDC P78527 2/20 0.54
ABL1 P00519 1/20 0.54
EGFR P00533 1/20 0.54
MTOR P42345 1/20 0.54
EPHB4 P54760 1/20 0.54
PI4KB Q9UBF8 1/20 0.54
FLT3 P36888 3/20 0.50

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
SCHEMBL2075886 0.88 TEK (0.72) KDRTEKLCKSRCHCK
SCHEMBL2075342 0.88 KDR (0.69) KDRTEKLCKSRCHCK
SCHEMBL2074064 0.87 TEK (0.77) KDRTEKLCKSRCHCK
SCHEMBL2074906 0.86 TEK (0.75) KDRTEKLCKSRCHCK
SCHEMBL7005359 0.85 TEK (1.00) KDRTEKLCKSRCHCK
SCHEMBL29552512 0.85 TEK (1.00) KDRTEKLCKSRCHCK
SCHEMBL2072195 0.85 KDR (0.68) KDRTEKLCKSRCHCK
SCHEMBL2074526 0.85 TEK (0.86) KDRTEKLCKSRCHCK
SCHEMBL2071955 0.85 KDR (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL7011622 0.84 TEK (0.81) KDRTEKLCKSRCHCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 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
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 US 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 KDR 3981/4885TEK 1465/4885LCK 1/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 KDR 140/4885TEK 199/4885LCK 1/4885

“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.