SCHEMBL1830767

SCHEMBL1830767

O=C1c2nc(-c3ccc([N+](=O)[O-])cc3)nc(N3CCOCC3)c2CN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
GBA1 P04062 1/20 0.42
SLC29A1 Q99808 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNJ1 P48048 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CFTR P13569 1/20 0.41
PIK3CA P42336 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL15196013 0.90 KDM4E (0.50) MEN1KMT2AMAPK1LMNAL3MBTL1
SCHEMBL1833331 0.87 PIK3CA (0.50) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL15189786 0.82 KDM4E (0.40) MEN1KMT2ALMNAL3MBTL1KDM4E
SCHEMBL1832647 0.81 MTOR (0.53) PIK3CAMTOR
SCHEMBL1829068 0.81 MTOR (0.50) LMNAPIK3CAMTORCYP3A4
SCHEMBL3641918 0.79 KDM4E (0.46) ALDH1A1LMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL1833019 0.79 KDM4E (0.46) ALDH1A1KMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL2625453 0.79 MTOR (0.51) PIK3CAMTOR
SCHEMBL27821521 0.77 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPK1ABCG2
SCHEMBL13828865 0.72 MEN1 (0.61) ALDH1A1MEN1KMT2AMAPK1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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 (2 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK ALDH1A1 4303/4885MEN1 3236/4885KMT2A 4093/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK ALDH1A1 4303/4885MEN1 3236/4885KMT2A 4093/4885

“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.