SCHEMBL2266728

SCHEMBL2266728

CCN(C(=O)O)c1cccc(C(=O)c2nn(-c3cnn(C)c3)ccc2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.36
HTT P42858 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
ADORA2A P29274 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ENPP2 Q13822 1/20 0.33
GRM2 Q14416 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2361589 0.85 POLB (0.40) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2222125 0.83 POLB (0.55) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2221942 0.82 ENPP2 (0.35) KMT2AMEN1CYP2C9HTTALDH1A1
SCHEMBL2364711 0.81 MEN1 (0.34) KMT2AMEN1CYP2C9MAPTGRM2
SCHEMBL2266079 0.80 MEN1 (0.33) POLBKMT2AMEN1CYP2C9GRM2
SCHEMBL2264322 0.80 POLB (0.64) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2221483 0.80 POLB (0.49) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL2220594 0.79 POLB (0.48) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL13506756 0.79 POLB (0.48) POLBKMT2AMEN1CYP2C9GAA
SCHEMBL13465494 0.76 SMN1; SMN2 (0.45) POLBKMT2AMEN1CYP2C9ALDH1A1

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-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 POLB 1954/4885KMT2A 720/4885MEN1 1349/4885

“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.