SCHEMBL976558

SCHEMBL976558

CCC(Br)c1cc(=O)n2c(C)cccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.48
GRIN2A Q12879 7/20 0.48
PKM P14618 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
RAB9A P51151 1/20 0.34
PDE5A O76074 1/20 0.34
PIK3CD O00329 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 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
SCHEMBL975136 0.84 GRIN1 (0.45) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL974164 0.78 HTT (0.48) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL17298001 0.75 GRIN1 (0.60) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL13833739 0.74 HTT (0.56) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL976356 0.73 HTT (0.46) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL1537159 0.71 KDM4E (0.55) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL890409 0.71 RXFP1 (0.56) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL21457876 0.70 PKM (0.56) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL12571765 0.69 ALDH1A1 (0.48) GRIN1GRIN2APKMRXFP1HTT
SCHEMBL19104687 0.69 RXFP1 (0.54) GRIN1GRIN2APKMRXFP1HTT

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 15 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-20170050987-A1 PYRIMIDINONES AS PI3K INHIBITORS INCYTE CORPORATION 2017-02-23 US 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 (9 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 2045/4885PKM 1531/4885
US-10428087-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-20140121222-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-10829502-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-20180362546-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-20170050987-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB GRIN1 1297/4885GRIN2A 2045/4885PKM 1531/4885

“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.