SCHEMBL2113955

SCHEMBL2113955

Cc1c(C(=O)O)c(-c2ccccc2)c(C=C2C(=O)Nc3ccc(Br)cc32)n1C(C(N)=O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ 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
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 5/20 0.41
▸ KDR P35968 5/20 0.41
▸ FGFR1 P11362 3/20 0.41
▸ EGFR P00533 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ RPS6KA3 P51812 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.37
▸ AURKA O14965 1/20 0.36

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
SCHEMBL2115891 0.90 MEN1 (0.48) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2118294 0.85 MEN1 (0.42) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2117973 0.83 PDGFRB (0.42) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2115597 0.82 MEN1 (0.41) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2115512 0.81 KDR (0.49) PDGFRBKDRFGFR1EGFRKIT
SCHEMBL2116963 0.81 PDGFRB (0.46) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2118752 0.80 KDR (0.46) RETPDGFRBKDRFGFR1EGFR
SCHEMBL2113945 0.79 LRRK2 (0.45) RETPDGFRBKDRFGFR1EGFR
SCHEMBL2113662 0.76 MEN1 (0.40) MEN1KMT2ACCNB2CDK1CCNB1
SCHEMBL2114116 0.76 LRRK2 (0.42) CDK1CCNB1RETPDGFRBKDR

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 MEN1 2122/4885KMT2A 2372/4885CCNB2 1111/4885

“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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