SCHEMBL975464

SCHEMBL975464

CCC(N)c1nc2cccc(C)n2c(=O)c1I

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CD O00329 16/20 0.39
PKM P14618 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 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
SCHEMBL16417964 0.85 HTT (0.49) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL976356 0.84 HTT (0.46) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL975059 0.81 PIK3CD (0.54) HTTPIK3CD
SCHEMBL974411 0.80 HTT (0.49) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL15744215 0.76 HTT (0.43) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL18542826 0.73 HTT (0.51) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL974767 0.72 PIK3CD (0.58) PIK3CD
SCHEMBL890645 0.68 PIK3CD (0.59) HTTPIK3CD
SCHEMBL18542867 0.68 HTT (0.51) HTTKDM4EALDH1A1CYP1A2POLB
SCHEMBL11368128 0.67 HTT (0.54) HTTKDM4EALDH1A1CYP1A2POLB

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 HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-10428087-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-20140121222-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-20210253601-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-10829502-B2 Pyrimidinones as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-20180362546-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-20170050987-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-20200123176-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885
US-20110015212-A1 PYRIMIDINONES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB HTT 3196/4885KDM4E 1496/4885ALDH1A1 2549/4885

“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.