SCHEMBL1836435

SCHEMBL1836435

COc1ccc(CN2Cc3c(nc(Cl)nc3N3CCOCC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
PDE10A Q9Y233 1/20 0.44
PDE1B Q01064 3/20 0.41
PDE1A P54750 2/20 0.41
PDE1C Q14123 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CLPP Q16740 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CA P42336 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1833019 0.86 KDM4E (0.46) AURKAMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL1833056 0.82 PIK3CA (0.49) MAPTKDM4EPDE10APIK3CA
SCHEMBL31715206 0.81 AURKA (0.52) AURKASMN1; SMN2KDM4EALDH1A1CLPP
SCHEMBL2625451 0.79 MTOR (0.55) PIK3CA
SCHEMBL3641918 0.75 KDM4E (0.46) AURKAMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL27821490 0.75 MAPT (0.43) MAPTL3MBTL1SMN1; SMN2KDM4EPDE10A
SCHEMBL15196013 0.74 KDM4E (0.50) AURKAMAPTL3MBTL1KDM4EPOLB
SCHEMBL6900338 0.72 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2KDM4EPDE10A
SCHEMBL2377833 0.70 MAPT (0.53) MAPTL3MBTL1SMN1; SMN2KDM4EPDE10A
SCHEMBL1833331 0.70 PIK3CA (0.50) AURKAL3MBTL1KDM4EALDH1A1POLB

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
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
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
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 AURKA 212/4885MAPT 349/4885L3MBTL1 4281/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK AURKA 212/4885MAPT 349/4885L3MBTL1 4281/4885

“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.