SCHEMBL2266342

SCHEMBL2266342

O=C(O)c1nn(-c2cn[nH]c2)ccc1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.63
KMT2A Q03164 4/20 0.58
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
UBE2N P61088 4/20 0.36
MAPT P10636 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MAPK1 P28482 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
SCHEMBL28688451 0.78 CYP2C9 (1.00) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL31261492 0.75 CYP2C9 (0.76) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL2220566 0.74 NPC1 (0.34) CYP2C9KMT2AMEN1ALDH1A1KDM4E
SCHEMBL31054400 0.74 CYP2C9 (0.69) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL2221815 0.74 CYP2C9 (0.73) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL2266480 0.72 CYP2C9 (0.32) CYP2C9KMT2AMEN1
SCHEMBL13449431 0.70 CYP2C9 (0.58) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL2269789 0.70 CYP2C9 (0.58) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL359785 0.70 KMT2A (0.71) CYP2C9KMT2AMEN1GAAALDH1A1
SCHEMBL13733791 0.70 BAZ2B (0.36) CYP2C9KMT2AMEN1GAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
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 CYP2C9 4808/4885KMT2A 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.