SCHEMBL2112008

SCHEMBL2112008

Cc1c(C(=O)O)c(C)n(C(CC(N)=O)n2ccnc2)c1C=C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 6/20 0.42
▸ KDR P35968 6/20 0.42
▸ FGFR1 P11362 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ EGFR P00533 1/20 0.40
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ RET P07949 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ ALK Q9UM73 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ AKT2 P31751 2/20 0.36
▸ MAP1LC3B Q9GZQ8 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
SCHEMBL2117924 0.89 RAF1 (0.39) PDGFRBKDRFGFR1EGFRRET
SCHEMBL2115933 0.85 KDR (0.44) PDGFRBKDRFGFR1EGFRSRC
SCHEMBL2116323 0.82 KDR (0.45) PDGFRBKDRFGFR1MEN1KMT2A
SCHEMBL2116963 0.78 PDGFRB (0.46) PDGFRBKDRFGFR1MEN1KMT2A
SCHEMBL2115891 0.77 MEN1 (0.48) PDGFRBKDRFGFR1MEN1KMT2A
SCHEMBL5639627 0.77 MEN1 (0.42) PDGFRBKDRFGFR1MEN1KMT2A
SCHEMBL7676776 0.76 KDM4E (0.34) KMT2A
SCHEMBL2117957 0.75 MEN1 (0.46) PDGFRBKDRFGFR1MEN1KMT2A
SCHEMBL2117973 0.73 PDGFRB (0.42) PDGFRBKDRFGFR1MEN1KMT2A
SCHEMBL2117379 0.72 KDR (0.42) PDGFRBKDRFGFR1MEN1KMT2A

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
EP-1536783-B1 SOLID FORMULATIONS COMPRISING AN INDOLINONE COMPOUND PFIZER ITALIA SRL (IT) 2008-08-06 — — EP 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 PDGFRB 555/4885KDR 395/4885FGFR1 462/4885

“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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