SCHEMBL2117954

SCHEMBL2117954

Cc1[nH]c(C=C2C(=O)Nc3ccc(Br)cc32)c(C)c1C(=O)NCCN1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 12/20 0.81
KDR P35968 12/20 0.81
FGFR1 P11362 8/20 0.81
TLK2 Q86UE8 3/20 0.81
EGFR P00533 3/20 0.72
FLT3 P36888 3/20 0.63
AURKB Q96GD4 3/20 0.63
MET P08581 2/20 0.63
PRKAA1 Q13131 7/20 0.62
PRKAA2 P54646 6/20 0.62
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61

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
SCHEMBL31672474 1.00 PDGFRB (0.81) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL13755224 1.00 PDGFRB (0.81) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL2116220 0.95 PDGFRB (0.73) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL31672558 0.95 PDGFRB (0.73) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL2116068 0.91 PDGFRB (0.69) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL31672526 0.91 PDGFRB (0.69) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL2116465 0.90 PDGFRB (0.67) PDGFRBKDRFGFR1TLK2EGFR
SCHEMBL31672527 0.90 PDGFRB (0.67) PDGFRBKDRFGFR1TLK2EGFR
Toceranib SCHEMBL1673439 0.90 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2EGFR
Toceranib SCHEMBL2116670 0.90 PDGFRB (1.00) PDGFRBKDRFGFR1TLK2EGFR

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
US-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 US disclosed
EP-1255752-B1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2007-08-08 EP 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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK PDGFRB 555/4885KDR 395/4885FGFR1 462/4885

“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.