SCHEMBL2116258

SCHEMBL2116258

Cc1c(C(=O)c2ccccc2)c(C=C2C(=O)Nc3ccc(Br)cc32)n(C(CC(N)=O)N2CCOCC2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNB3 Q8WWL7 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDR P35968 9/20 0.40
▸ PDGFRB P09619 9/20 0.40
▸ FGFR1 P11362 5/20 0.40
▸ KIT P10721 3/20 0.37
▸ FLT1 P17948 2/20 0.37
▸ TLK2 Q86UE8 2/20 0.37
▸ RIOK2 Q9BVS4 2/20 0.37
▸ TLK1 Q9UKI8 2/20 0.37
▸ SRC P12931 2/20 0.37
▸ BMPR1B O00238 1/20 0.37
▸ PLK4 O00444 1/20 0.37
▸ STK25 O00506 1/20 0.37

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
SCHEMBL2114261 0.94 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2118661 0.92 KDR (0.41) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2117379 0.85 KDR (0.42) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2114214 0.85 ALK (0.44) MEN1KMT2AKDRPDGFRBFGFR1
SCHEMBL2116265 0.84 PIM1 (0.39) CDK1MEN1KMT2AKDRPDGFRB
SCHEMBL2117620 0.84 LRRK2 (0.40) KDRPDGFRBFGFR1TLK2SRC
SCHEMBL2117534 0.83 CCNB2 (0.42) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2113633 0.81 MEN1 (0.41) CCNB2CDK1CCNB1CCNB3HSP90AA1
SCHEMBL2116293 0.81 PDGFRB (0.43) KDRPDGFRBFGFR1SRCCHEK1
SCHEMBL2115110 0.79 KDR (0.42) KDRPDGFRBFGFR1KITTLK2

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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