SCHEMBL10087451

SCHEMBL10087451

COC(=O)Cc1cccc([N+](=O)[O-])c1CC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL7913797 0.91 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL908565 0.86 MEN1 (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL29923859 0.86 MEN1 (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6543923 0.85 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28156759 0.85 GPR35 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10267923 0.85 GPR35 (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21519389 0.84 ALDH1A1 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1373558 0.84 ALDH1A1 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17144681 0.82 ALDH1A1 (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10794534 0.81 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3

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-8097619-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2012-01-17 US disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
US-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO GPC BIOTECH, INC. (US) 2009-08-20 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-20090209530-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO CDK1, CCNO, CCNI PDGFRB 2359/4885FGFR1 1273/4885PDGFRA 2624/4885

“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.