SCHEMBL2919852

SCHEMBL2919852

O=[N+]([O-])c1cc(CO)c2nc[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
NAMPT P43490 1/20 0.50
XDH P47989 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
PARP1 P09874 1/20 0.36
PKM P14618 2/20 0.36
PKLR P30613 1/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PNP P00491 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7033550 0.80 CYP3A4 (0.54) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL27476007 0.76 MEN1 (0.60) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL15022727 0.76 CYP3A4 (0.54) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL2919937 0.76 CYP3A4 (0.50) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL2919854 0.76 CYP3A4 (0.46) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL2921100 0.75 PKM (0.39) MEN1KMT2APOLBHTTPKM
SCHEMBL30805800 0.75 CYP3A4 (0.49) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL4287528 0.74 CYP3A4 (0.51) CYP3A4NAMPTXDHMEN1KMT2A
SCHEMBL2915004 0.72 PNP (0.42) MEN1KMT2APOLBHTTPARP1
SCHEMBL12999419 0.71 CYP3A4 (0.46) CYP3A4NAMPTXDHMEN1KMT2A

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 6 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
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
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
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
WO-2009084695-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2009-07-09 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-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.