SCHEMBL4022012

SCHEMBL4022012

CCN(CC)CCNC(=O)COCc1ccc(/C=C2\C(=O)Nc3ccc(F)cc32)[se]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.55
PDGFRB P09619 7/20 0.55
FLT3 P36888 6/20 0.55
PRKAA1 Q13131 5/20 0.55
CHEK1 O14757 5/20 0.55
PRKAA2 P54646 4/20 0.55
KIT P10721 4/20 0.55
CSF1R P07333 3/20 0.55
RET P07949 3/20 0.55
FLT4 P35916 3/20 0.55
FGFR1 P11362 3/20 0.55
PLK4 O00444 2/20 0.55
DCLK1 O15075 2/20 0.55
PDPK1 O15530 2/20 0.55
DAPK3 O43293 2/20 0.55
ROCK2 O75116 2/20 0.55
RPS6KA5 O75582 2/20 0.55
RPS6KA4 O75676 2/20 0.55
MAP4K4 O95819 2/20 0.55
CHEK2 O96017 2/20 0.55

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
SCHEMBL4022017 1.00 KDR (0.55) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4020716 0.86 KDR (0.54) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4020711 0.86 KDR (0.54) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4019529 0.83 CHEK1 (0.68) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4019531 0.83 CHEK1 (0.68) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4022014 0.82 KDR (0.55) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4168589 0.82 FLT3 (0.46) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4168596 0.82 FLT3 (0.46) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4020713 0.82 KDR (0.54) KDRPDGFRBFLT3PRKAA1CHEK1
SCHEMBL4013804 0.77 CHEK1 (0.70) KDRPDGFRBFLT3PRKAA1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085040-A1 PROTEIN KINASE INHIBITORS DCB-USA LLC (US) 2009-07-09 WO disclosed
US-20090163494-A1 PROTEIN KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2009-06-25 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-20090163494-A1 PROTEIN KINASE INHIBITORS BRAF, MAP3K20, SELENOI KDR 2756/4885PDGFRB 2877/4885FLT3 641/4885

“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.