SCHEMBL2116155

SCHEMBL2116155

CCN(CC)C(C(N)=O)n1c(C=C2C(=O)Nc3ccc(Br)cc32)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PDGFRB P09619 6/20 0.42
▸ KDR P35968 6/20 0.42
▸ FGFR1 P11362 4/20 0.42
▸ EGFR P00533 1/20 0.41
▸ CCNB2 O95067 3/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CCNB1 P14635 3/20 0.41
▸ CCNB3 Q8WWL7 3/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ PLK4 O00444 2/20 0.41
▸ CCR6 P51684 1/20 0.41
▸ RET P07949 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ MAP1LC3B Q9GZQ8 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.39
▸ SRC P12931 1/20 0.38
▸ PLK1 P53350 1/20 0.38

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
SCHEMBL2116963 0.82 PDGFRB (0.46) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2115188 0.82 PDGFRB (0.43) PDGFRBKDRFGFR1EGFRRET
SCHEMBL2118863 0.80 MEN1 (0.43) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2115597 0.77 MEN1 (0.41) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2117426 0.76 PDGFRB (0.45) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2114046 0.76 PDGFRB (0.45) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2116323 0.72 KDR (0.45) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2115891 0.72 MEN1 (0.48) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL722802 0.72 ALK (0.52) MEN1KMT2APDGFRBKDRFGFR1
SCHEMBL2114116 0.71 LRRK2 (0.42) PDGFRBKDRFGFR1EGFRCDK1

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
US-7125905-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2006-10-24 — — 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 2372/4885PDGFRB 555/4885

“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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