SCHEMBL2179721

SCHEMBL2179721

COc1ccc(-c2coc3ncnc(OC[C@H](C)OCC(C(=O)O)C(C)(C)C)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.47
TEK Q02763 4/20 0.38
FLT1 P17948 3/20 0.38
CDK1 P06493 2/20 0.35
CHEK1 O14757 1/20 0.35
EGFR P00533 8/20 0.35
PDGFRB P09619 5/20 0.35
GSK3B P49841 2/20 0.34
PLK4 O00444 1/20 0.34
MAPK13 O15264 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34
LCK P06239 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
FER P16591 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL2177083 0.89 RIPK1 (0.39) KDRTEKFLT1CDK1EGFR
SCHEMBL2179734 0.83 KDR (0.46) KDRTEKFLT1CDK1CHEK1
SCHEMBL2179261 0.83 KDR (0.46) KDRTEKFLT1CDK1CHEK1
SCHEMBL2179726 0.82 KDR (0.45) KDRTEKFLT1CDK1CHEK1
SCHEMBL2177474 0.79 KDR (0.47) KDRTEKFLT1CDK1CHEK1
SCHEMBL3158751 0.78 KDR (0.57) KDRTEKFLT1CDK1CHEK1
SCHEMBL2180594 0.73 KDR (0.49) KDRTEKFLT1CDK1EGFR
SCHEMBL2179813 0.73 EGFR (0.43) CHEK1EGFR
SCHEMBL2179775 0.73 RIPK1 (0.39) KDRTEKFLT1CDK1EGFR
SCHEMBL12409621 0.73 KDR (0.47) KDRTEKFLT1CDK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 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 (1 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP KDR 1007/4885TEK 374/4885FLT1 475/4885

“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.