SCHEMBL975629

SCHEMBL975629

Cc1csc2nc([C@H](C)NC(=O)OC(C)(C)C)c(Br)c(=O)n12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
ABCB1 P08183 2/20 0.36
PIK3CD O00329 7/20 0.35
GLA P06280 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RCE1 Q9Y256 1/20 0.34
KMT2A Q03164 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
SCHEMBL975628 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL975292 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL18308690 0.80 PIK3CD (0.47) HPGDHSD17B10SMN1; SMN2PIK3CD
SCHEMBL974317 0.78 PIK3CD (0.57) PIK3CD
SCHEMBL974315 0.78 PIK3CD (0.57) PIK3CD
SCHEMBL974580 0.76 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL15732410 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
Hydrochloric Acid SCHEMBL976093 0.74 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL31146240 0.69 ABCB1 (0.45) ALDH1A1HSD17B10ABCB1KMT2A
SCHEMBL4209295 0.67 ABCB1 (0.48) HSD17B10ABCB1KMT2A

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 19 patents. 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-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-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
US-9975907-B2 Pyrimidinones as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-05-22 US disclosed
US-9732097-B2 Process for the synthesis of a phosphoinositide 3-kinase inhibitor INCYTE CORPORATION (US) 2017-08-15 US disclosed
US-20170050987-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2017-02-23 US disclosed
US-20160362426-A1 PROCESS FOR THE SYNTHESIS OF A PHOSPHOINOSITIDE 3-KINASE INHIBITOR INCYTE CORPORATION 2016-12-15 US disclosed
US-20160362426-A1 PROCESS FOR THE SYNTHESIS OF A PHOSPHOINOSITIDE 3-KINASE INHIBITOR INCYTE CORPORATION 2016-12-15 US disclosed
WO-2016183060-A1 PROCESS FOR THE SYNTHESIS OF A PHOSPHOINOSITIDE 3-KINASE INHIBITOR INCYTE CORPORATION (US) 2016-11-17 WO disclosed
US-9434746-B2 Pyrimidinones as PI3K inhibitors INCYTE CORPORATION (US) 2016-09-06 US disclosed
EP-2448938-B9 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORP (US) 2015-06-10 EP 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
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
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2011-01-20 US 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 (10 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 ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-10428087-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20140121222-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20160362426-A1 PROCESS FOR THE SYNTHESIS OF A PHOSPHOINOSITIDE 3-KINASE INHIBITOR PIK3CA, PI4KA, PIK3CD ALDH1A1 4191/4885KDM4E 1000/4885HPGD 1788/4885
US-10829502-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20180362546-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20170050987-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 2549/4885KDM4E 1496/4885HPGD 1311/4885

“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.