SCHEMBL20939331

SCHEMBL20939331

COc1cc2c(cc1[N+](=O)[O-])CCN(C)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.67
MAOB P27338 2/20 0.67
SLC6A4 P31645 1/20 0.67
RAB9A P51151 2/20 0.53
SIRT6 Q8N6T7 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.49
CHRNA7 P36544 2/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL29651228 1.00 MAOA (0.67) MAOAMAOBSLC6A4RAB9ASIRT6
SCHEMBL2204654 1.00 MAOA (0.67) MAOAMAOBSLC6A4RAB9ASIRT6
SCHEMBL2574136 0.94 SIRT6 (0.57) MAOAMAOBSLC6A4RAB9ASIRT6
SCHEMBL2915552 0.92 MAOA (0.55) MAOAMAOBSLC6A4RAB9ASIRT6
SCHEMBL20214588 0.92 MAOA (0.55) MAOAMAOBSLC6A4RAB9ASIRT6
SCHEMBL14993936 0.90 SIRT6 (0.55) MAOAMAOBSLC6A4RAB9ASIRT6
SCHEMBL20214659 0.85 MAOA (0.50) MAOAMAOBSLC6A4RAB9ANPC1
SCHEMBL29651191 0.85 MAOA (0.50) MAOAMAOBSLC6A4RAB9ANPC1
SCHEMBL24869491 0.84 MAOA (0.49) MAOAMAOBSLC6A4RAB9ANPC1
SCHEMBL29771864 0.84 MAOA (0.49) MAOAMAOBSLC6A4RAB9ANPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115772156-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-08-06 CN disclosed
CN-114853730-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 CN disclosed
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF SINAI HEALTH SYSTEM (CA) 2024-03-21 US disclosed
CN-112513029-B Nitrogen-containing aryl phosphorus oxide derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-24 CN disclosed
CN-116940565-A Isoindolinone aminopyrimidine compounds as inhibitors of NUAK kinase, compositions and uses thereof 安大略省癌症研究所(OICR) 2023-10-24 CN disclosed
CN-115772156-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2023-03-10 CN disclosed
CN-114853730-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-08-05 CN disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
CN-112513029-A Nitrogen-containing aryl phosphorus oxide derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-03-16 CN disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
WO-2020253862-A1 NITROGEN-CONTAINING ARYL PHOSPHORUS OXIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-24 WO disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 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 (4 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 MAOA 3547/4885MAOB 3216/4885SLC6A4 4777/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB MAOA 3870/4885MAOB 2998/4885SLC6A4 4736/4885
US-20240092763-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF NUAK1, NUAK2, NEK1 MAOA 3034/4885MAOB 2919/4885SLC6A4 4468/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 MAOA 3547/4885MAOB 3216/4885SLC6A4 4777/4885

“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.