SCHEMBL1832033

SCHEMBL1832033

CC(C)(O)C(C)(C)OB(O)c1ccc(C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.41
PARP4 Q9UKK3 2/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP15 Q460N3 3/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
NOS1 P29475 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 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
SCHEMBL6612175 0.95 MKNK1 (0.39) PARP10PARP4PARP1PARP2CA1
SCHEMBL135488 0.85 TP53 (0.40) CA1CA2KMT2AALDH1A1TSHR
SCHEMBL473743 0.83 CA1 (0.44) CA1CA2KMT2AALDH1A1MAPT
SCHEMBL6843044 0.81 MAPT (0.43) KMT2AMAPTL3MBTL1MEN1
SCHEMBL16277904 0.81 CA12 (0.42) CA1CA2ALDH1A1TSHRHSD17B10
SCHEMBL3348070 0.80 KIF11 (0.45) KMT2AALDH1A1MAPTHSD17B10L3MBTL1
SCHEMBL54815 0.80 MAPK1 (0.32) ALDH1A1MAPTTDP1
SCHEMBL19433226 0.79 CA2 (0.42) CA1CA2TSHR
SCHEMBL1997052 0.79 CA1 (0.49) CA1CA2KMT2AALDH1A1POLB
SCHEMBL6610483 0.78 HPGD (0.41) CA2TSHREPHX2NR1H4

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 PARP10 3512/4885PARP4 3106/4885PARP1 2488/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK PARP10 3512/4885PARP4 3106/4885PARP1 2488/4885

“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.