SCHEMBL2919937

SCHEMBL2919937

O=C(O)c1cc([N+](=O)[O-])cc2[nH]cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
NAMPT P43490 1/20 0.50
XDH P47989 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALOX15 P16050 1/20 0.40
ACLY P53396 1/20 0.39
PARP1 P09874 1/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IP6K1 Q92551 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL12999419 0.83 CYP3A4 (0.46) CYP3A4NAMPTXDHMAPTKMT2A
SCHEMBL665757 0.81 IP6K1 (0.54) CYP3A4NAMPTXDHMAPTMAPK1
SCHEMBL7033550 0.80 CYP3A4 (0.54) CYP3A4NAMPTXDHMAPTMAPK1
SCHEMBL15022727 0.76 CYP3A4 (0.54) CYP3A4NAMPTXDHMAPTKMT2A
SCHEMBL27476007 0.76 MEN1 (0.60) CYP3A4NAMPTXDHKMT2AMEN1
SCHEMBL29893733 0.76 MAPT (0.52) CYP3A4MAPTMAPK1KMT2AMEN1
SCHEMBL10627235 0.76 MAPT (0.52) CYP3A4MAPTMAPK1KMT2AMEN1
SCHEMBL2919938 0.76 CYP3A4 (0.46) CYP3A4NAMPTXDHMAPTMAPK1
SCHEMBL2919852 0.76 CYP3A4 (0.50) CYP3A4NAMPTXDHMAPTKMT2A
SCHEMBL11664269 0.76 PARP1 (0.44) ALDH1A1ALOX15ACLYPARP1HTT

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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K CYP3A4 3334/4885NAMPT 4195/4885XDH 586/4885

“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.