SCHEMBL975136

SCHEMBL975136

Cc1cccc2nc(C(C)Br)cc(=O)n12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42
PIK3CD O00329 9/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL974164 0.85 HTT (0.48) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL976558 0.84 GRIN1 (0.48) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL13833739 0.77 HTT (0.56) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL18542867 0.73 HTT (0.51) HTTPKMALDH1A1HPGDKDM4E
SCHEMBL12571765 0.72 ALDH1A1 (0.48) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL17298001 0.72 GRIN1 (0.60) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL890409 0.71 RXFP1 (0.56) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL1537159 0.71 KDM4E (0.55) GRIN1GRIN2AHTTRXFP1PKM
SCHEMBL974411 0.71 HTT (0.49) HTTPKMALDH1A1HPGDKDM4E
SCHEMBL21457876 0.71 PKM (0.56) GRIN1GRIN2AHTTRXFP1PKM

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 32 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
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
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
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
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

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 GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-10428087-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-20140121222-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-10829502-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-20180362546-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885HTT 3196/4885

“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.