SCHEMBL1832431

SCHEMBL1832431

CC(C)(C)OC(=O)N1CCc2c(nc(Cl)nc2-c2ccncc2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ PRKCI P41743 3/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ ESR2 Q92731 1/20 0.43
▸ MTOR P42345 1/20 0.42
▸ GPR119 Q8TDV5 3/20 0.41
▸ P2RX7 Q99572 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NR1H2 P55055 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ POLB P06746 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
SCHEMBL25343770 0.81 P2RX7 (0.45) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL1832511 0.81 PARP1 (0.47) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL19357879 0.80 CKS1B (0.48) PARP1TNKS2PARP2MTORGPR119
SCHEMBL31536045 0.79 PARP1 (0.47) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL19959253 0.78 ADORA1 (0.48) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL30338938 0.78 ADORA1 (0.48) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL1833105 0.78 MTOR (0.41) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL24535151 0.78 PARP1 (0.45) PARP1TNKS2PARP2ESR2MTOR
SCHEMBL1837205 0.77 MTOR (0.69) PRKCIPDE10AMTOR
SCHEMBL12987499 0.77 ALDH1A1 (0.48) PARP1TNKS2PARP2ESR2MTOR

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 14 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
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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 — — US 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
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
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 PARP1 2488/4885TNKS2 176/4885PARP2 1943/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK PARP1 2488/4885TNKS2 176/4885PARP2 1943/4885

“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.

Send feedback