SCHEMBL2114239

SCHEMBL2114239

CC(C)c1c(C(=O)O)c(-c2ccccc2)c(C=C2C(=O)Nc3ccc(Br)cc32)n1C(CC(N)=O)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PDGFRB P09619 7/20 0.38
▸ KDR P35968 6/20 0.38
▸ FGFR1 P11362 4/20 0.38
▸ SRC P12931 3/20 0.38
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCR6 P51684 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ KIT P10721 2/20 0.36
▸ RET P07949 3/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CSF1R P07333 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
SCHEMBL2114272 0.94 AURKA (0.41) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2114224 0.84 MEN1 (0.41) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2113662 0.83 MEN1 (0.40) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2115597 0.80 MEN1 (0.41) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2117973 0.76 PDGFRB (0.42) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2118294 0.76 MEN1 (0.42) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2114261 0.75 CCNB2 (0.42) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2114024 0.74 PDGFRB (0.45) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2117379 0.74 KDR (0.42) AURKAMEN1KMT2APDGFRBKDR
SCHEMBL2116258 0.73 CCNB2 (0.40) MEN1KMT2APDGFRBKDRFGFR1

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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2012-04-19 — — 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-20120094998-A1 Oligomer-Protein Tyrosine Kinase Inhibitor Conjugates PTK2B, ERBB2, FRK AURKA 167/4885MEN1 2122/4885KMT2A 2372/4885

“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.

Send feedback