SCHEMBL2071955

SCHEMBL2071955

CC(C)n1cc(-c2ccc(Oc3ccc(CO)cc3)cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 1.00
TEK Q02763 14/20 1.00
LCK P06239 13/20 0.78
SRC P12931 5/20 0.78
FYN P06241 1/20 0.58
RET P07949 1/20 0.58
PDGFRB P09619 1/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
LTK P29376 1/20 0.58
MAP2K2 P36507 1/20 0.58
FLT3 P36888 1/20 0.58
CDK8 P49336 1/20 0.58
MAP2K1 Q02750 1/20 0.58
ACVR1 Q04771 1/20 0.58
BTK Q06187 1/20 0.58
TNK2 Q07912 1/20 0.58
IKBKE Q14164 1/20 0.58
NTRK3 Q16288 1/20 0.58
NTRK2 Q16620 1/20 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
SCHEMBL7005359 0.87 TEK (1.00) KDRTEKLCKSRCFYN
SCHEMBL29552512 0.87 TEK (1.00) KDRTEKLCKSRCFYN
SCHEMBL2075883 0.87 KDR (0.77) KDRTEKLCKSRCFYN
SCHEMBL2074974 0.86 TEK (0.76) KDRTEKLCKSRCFLT3
SCHEMBL7011622 0.86 TEK (0.81) KDRTEKLCKSRCFYN
SCHEMBL7853816 0.85 TEK (0.79) KDRTEKLCKSRCFYN
SCHEMBL2075180 0.85 KDR (0.73) KDRTEKLCKSRCFYN
SCHEMBL2074967 0.85 KDR (0.84) KDRTEKLCKSRCFLT3
SCHEMBL2072170 0.84 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL2075821 0.84 TEK (0.75) KDRTEKLCKSRCPIK3CD

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.