SCHEMBL976358

SCHEMBL976358

CC(Br)c1cc(=O)n2c(C(F)(F)F)csc2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
RAD51 Q06609 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL972568 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2POLBRXFP1
SCHEMBL23753478 0.78 PIK3CD (0.31) PIK3CD
SCHEMBL975663 0.76 PIK3CD (0.38) PIK3CDALDH1A1KDM4ESMN1; SMN2
SCHEMBL637490 0.72 L3MBTL1 (0.56) ALDH1A1GAASMN1; SMN2POLBRXFP1
SCHEMBL18078284 0.69 PIK3CD (0.37) PIK3CD
Hydrochloric Acid SCHEMBL637346 0.67 ALDH1A1 (0.45) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL975597 0.67 POLB (0.46) ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL23444301 0.67 PIK3CD (0.33) PIK3CDALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL12945057 0.66 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2POLBRXFP1
SCHEMBL8808546 0.62 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2POLBRXFP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11401280-B2 Pyrimidinones as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-08-02 US disclosed
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
US-10829502-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2020-11-10 US disclosed
US-10829502-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2020-11-10 US disclosed
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2020-04-23 US disclosed
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2020-04-23 US disclosed
US-10428087-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2019-10-01 US disclosed
US-10428087-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2019-10-01 US disclosed
US-20180362546-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2018-12-20 US disclosed
EP-2845856-A1 Pyrimidinones as PI3K inhibitors Incyte Corporation (US) 2015-03-11 EP disclosed
US-8940752-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2015-01-27 US disclosed
US-8940752-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2015-01-27 US disclosed
EP-2448938-B1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORP (US) 2014-05-28 EP disclosed
US-20140121222-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2014-05-01 US disclosed
EP-2448938-A1 PYRIMIDINONES AS PI3K INHIBITORS Incyte Corporation (US) 2012-05-09 EP disclosed
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2011-01-20 US disclosed
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2011-01-20 US disclosed
WO-2011008487-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-01-20 WO disclosed
WO-2011008487-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-01-20 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 (8 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-11401280-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-10428087-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-20140121222-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-10829502-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-20180362546-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885RAD51 960/4885GRIN1 1297/4885

“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.