SCHEMBL2919938

SCHEMBL2919938

O=C(O)c1cc([N+](=O)[O-])cc2nc[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
NAMPT P43490 1/20 0.46
XDH P47989 1/20 0.46
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALOX15 P16050 1/20 0.40
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
AKR1B1 P15121 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7033558 0.81 CYP3A4 (0.51) CYP3A4NAMPTXDHMAPTMAPK1
SCHEMBL2916877 0.78 CYP1A2 (0.44) CYP3A4NAMPTXDHMAPTPARP1
SCHEMBL27476008 0.76 CYP3A4 (0.50) CYP3A4NAMPTXDHMAPTPARP1
SCHEMBL1325050 0.76 CYP3A4 (0.50) CYP3A4NAMPTXDHMAPTPARP1
SCHEMBL2919937 0.76 CYP3A4 (0.50) CYP3A4NAMPTXDHMAPTMAPK1
SCHEMBL2919854 0.76 CYP3A4 (0.46) CYP3A4NAMPTXDHMAPTMAPK1
SCHEMBL11664276 0.76 ALDH1A1 (0.37) ALDH1A1CA1CA2ALOX15SMN1; SMN2
SCHEMBL2919368 0.75 MAPT (0.42) CYP3A4MAPTMAPK1ALDH1A1TDP1
SCHEMBL29260808 0.74 DYRK1A (0.43) CYP3A4PARP1ALDH1A1CA1CA2
SCHEMBL2424869 0.74 AKR1C3 (0.42) ALDH1A1TDP1SMN1; SMN2HTTKDM4E

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.