SCHEMBL2492613

SCHEMBL2492613

COc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.74
NPC1 O15118 4/20 0.74
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
PIK3CG P48736 1/20 0.60
GAA P10253 2/20 0.57
HTT P42858 2/20 0.57
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PABPC1 P11940 1/20 0.52
GSK3B P49841 1/20 0.51

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
SCHEMBL11711180 0.85 RAB9A (1.00) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL28396861 0.81 NPC1 (0.51) RAB9ANPC1KMT2AMEN1HTT
SCHEMBL28398694 0.81 MAPT (0.59) RAB9ANPC1KMT2AMEN1HDAC3
SCHEMBL1195949 0.80 MAPT (0.68) RAB9ANPC1KMT2AMEN1PIK3CA
SCHEMBL28393222 0.80 PIK3CA (0.57) RAB9ANPC1KMT2AMEN1PIK3CA
SCHEMBL28221078 0.80 MEN1 (0.51) RAB9ANPC1KMT2AMEN1PIK3CA
SCHEMBL28390980 0.80 HDAC3 (0.53) RAB9ANPC1KMT2AMEN1PIK3CA
SCHEMBL28221070 0.80 MEN1 (0.72) RAB9ANPC1KMT2AMEN1PIK3CA
SCHEMBL2497826 0.79 MEN1 (0.71) RAB9ANPC1KMT2AMEN1HDAC6
SCHEMBL1734464 0.78 ABCG2 (0.57) RAB9ANPC1KMT2AMEN1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
WO-2008008234-A1 2-AMINO-5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-17 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-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 RAB9A 3189/4885NPC1 4681/4885KMT2A 1762/4885

“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.