SCHEMBL2114261

SCHEMBL2114261

Cc1c(C(=O)c2ccccc2)c(C=C2C(=O)Nc3ccc(Br)cc32)n(C(CC(N)=O)N2CCCC2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PDGFRB P09619 7/20 0.41
▸ KDR P35968 7/20 0.41
▸ FGFR1 P11362 4/20 0.41
▸ SRC P12931 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ RET P07949 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ TLK2 Q86UE8 1/20 0.36
▸ TGM2 P21980 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35

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
SCHEMBL2116258 0.94 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2117379 0.92 KDR (0.42) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2114214 0.91 ALK (0.44) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2116265 0.91 PIM1 (0.39) CDK1MEN1KMT2APDGFRBKDR
SCHEMBL2117620 0.90 LRRK2 (0.40) PDGFRBKDRFGFR1SRCRET
SCHEMBL2116293 0.87 PDGFRB (0.43) PDGFRBKDRFGFR1SRCEGFR
SCHEMBL2115110 0.85 KDR (0.42) PDGFRBKDRFGFR1SRCAURKA
SCHEMBL2118661 0.85 KDR (0.41) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2117534 0.84 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2114024 0.82 PDGFRB (0.45) CCNB2CDK1CCNB1CCNB3HSP90AA1

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 CCNB2 1111/4885CDK1 188/4885CCNB1 1313/4885

“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.

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