SCHEMBL2013692

SCHEMBL2013692

CC(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GPR35 Q9HC97 3/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 1/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
IMPDH2 P12268 1/20 0.35
DHODH Q02127 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL31632352 0.83 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12055946 0.81 TSHR (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9928962 0.80 TSHR (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14753933 0.77 MEN1 (0.40) ALDH1A1MAPTKMT2ADHODHSMN1; SMN2
SCHEMBL18817221 0.77 HPRT1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18816938 0.77 POLB (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15131962 0.77 KMT2A (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4175674 0.77 KMT2A (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17744500 0.77 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18817044 0.77 HPGD (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 34 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-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 US disclosed
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors BEIGENE, LTD. (KY) 2023-08-15 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
CN-114805366-A Imidazo [1,5-A ] pyrazine derivatives as PI3K delta inhibitors 百济神州有限公司 2022-07-29 CN disclosed
CN-110267959-B Imidazo [1,5-A ] pyrazine derivatives as PI3K delta inhibitors 百济神州有限公司 2022-05-27 CN disclosed
US-20220098202-A1 IMIDAZO[1,5-a]PYRAZINE DERIVATIVES AS PI3K DELTA INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-03-31 US disclosed
US-20220098202-A1 IMIDAZO[1,5-a]PYRAZINE DERIVATIVES AS PI3K DELTA INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-03-31 US disclosed
WO-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 WO 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
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 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
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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 (7 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 GRIN2D 3104/4885GRIN3B 730/4885GRIN1 783/4885
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 GRIN2D 2340/4885GRIN3B 1705/4885GRIN1 563/4885
US-20220098202-A1 IMIDAZO[1,5-a]PYRAZINE DERIVATIVES AS PI3K DELTA INHIBITORS PIK3CD, PIK3R5, PIK3CA GRIN2D 1848/4885GRIN3B 3056/4885GRIN1 1193/4885
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 GRIN2D 3133/4885GRIN3B 3058/4885GRIN1 2394/4885
US-20150284390-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PI4KB GRIN2D 3104/4885GRIN3B 730/4885GRIN1 783/4885
US-11725012-B2 Imidazo[1,5-a]pyrazine derivatives as PI3K δ inhibitors PIK3CD, PIK3R5, PIK3CA GRIN2D 1819/4885GRIN3B 2514/4885GRIN1 868/4885
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD GRIN2D 3091/4885GRIN3B 2412/4885GRIN1 1060/4885

“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.