SCHEMBL9928962

SCHEMBL9928962

COc1c(C(C)=O)cc(Cl)c(C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
IMPDH2 P12268 3/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL13561974 0.87 SMN1; SMN2 (0.49) TSHRALDH1A1TDP1PKMSMN1; SMN2
SCHEMBL18816938 0.85 POLB (0.40) TSHRALDH1A1TDP1SMN1; SMN2GRIN2D
SCHEMBL18817044 0.84 HPGD (0.40) TSHRALDH1A1TDP1PKMSMN1; SMN2
SCHEMBL2547908 0.83 ALDH1A1 (0.41) TSHRALDH1A1TDP1PKMSMN1; SMN2
SCHEMBL18816876 0.83 GRIN2D (0.37) TSHRALDH1A1TDP1PKMSMN1; SMN2
SCHEMBL2013692 0.80 GRIN2D (0.43) TSHRALDH1A1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL2034810 0.79 HSD11B1 (0.37) TSHRALDH1A1TDP1PKMGRIN2D
SCHEMBL14753934 0.79 IMPDH2 (0.48) ALDH1A1SMN1; SMN2IMPDH2GAAMAPK1
SCHEMBL18817234 0.79 RAB9A (0.46) ALDH1A1TDP1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL6449950 0.79 SMN1; SMN2 (0.45) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2023-01-12 US disclosed
EP-4086259-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2022-11-09 EP disclosed
EP-3371190-B1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2022-03-30 EP disclosed
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors INCYTE CORPORATION (US) 2021-08-17 US disclosed
EP-3660016-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Holdings Corporation (US) 2020-06-03 EP disclosed
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-01-30 US disclosed
US-10472368-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2019-11-12 US disclosed
EP-2655374-B1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE HOLDINGS CORP (US) 2019-10-23 EP disclosed
EP-3371190-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2018-09-12 EP disclosed
US-9815839-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2017-11-14 US disclosed
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2017-06-08 US disclosed
WO-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 WO disclosed
US-20170129899-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2017-05-11 US disclosed
US-9527848-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-12-27 US disclosed
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2015-10-08 US disclosed
US-9096600-B2 N-(1-(substituted-phenyl)ethyl)-9H-purin-6-amines as PI3K inhibitors INCYTE CORPORATION (US) 2015-08-04 US disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed
US-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION 2012-06-21 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-20120157430-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB TSHR 3968/4885ALDH1A1 3828/4885TDP1 587/4885
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 TSHR 2420/4885ALDH1A1 2699/4885TDP1 493/4885
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors PIK3R5, PIK3CA, PIK3CD TSHR 2451/4885ALDH1A1 3638/4885TDP1 370/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB TSHR 3968/4885ALDH1A1 3828/4885TDP1 587/4885
US-10472368-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 TSHR 2420/4885ALDH1A1 2699/4885TDP1 493/4885
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD TSHR 2451/4885ALDH1A1 3638/4885TDP1 370/4885
US-20170129899-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD TSHR 2451/4885ALDH1A1 3638/4885TDP1 370/4885
US-20170158696-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB TSHR 3968/4885ALDH1A1 3828/4885TDP1 587/4885
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD TSHR 2451/4885ALDH1A1 3638/4885TDP1 370/4885

“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.