Sugi Predict

Sugi Predict / Compounds / SCHEMBL690222

SCHEMBL690222

SCHEMBL690222

Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.63
▸ LMNA P02545 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ KDM4E B2RXH2 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ GAA P10253 2/20 0.58
▸ CTSB P07858 1/20 0.57
▸ ALDH1A1 P00352 8/20 0.56
▸ PKM P14618 1/20 0.56
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HPGD P15428 1/20 0.52

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
SCHEMBL7809569 0.88 MAPT (0.64) MAPTLMNATDP1MAPK1KDM4E
SCHEMBL7809573 0.86 ALDH1A1 (0.67) MAPTLMNATDP1MAPK1L3MBTL1
SCHEMBL7805734 0.84 GAA (0.69) MAPTLMNATDP1MAPK1L3MBTL1
SCHEMBL3537112 0.84 GAA (0.69) MAPTLMNATDP1MAPK1L3MBTL1
SCHEMBL7800482 0.83 GAA (0.72) MAPTLMNATDP1MAPK1KDM4E
SCHEMBL2711990 0.83 MAPT (0.77) MAPTLMNATDP1MAPK1KDM4E
SCHEMBL2712983 0.82 MAPT (0.63) MAPTLMNATDP1MAPK1KDM4E
SCHEMBL21275165 0.82 SMN1; SMN2 (0.59) MAPTLMNAMAPK1KDM4EL3MBTL1
SCHEMBL28719920 0.82 ALDH1A1 (0.50) MAPTLMNATDP1MAPK1L3MBTL1
SCHEMBL14377101 0.82 MAPT (0.57) MAPTLMNATDP1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181217-B Pyrazolo [1,5-a ] [1,3,5] triazine derivative and salt thereof and application of derivative and salt thereof in preparation of anti-cancer drugs 陕西师范大学 2022-12-27 — — CN disclosed
CN-114181217-A Pyrazolo [1,5-a ] [1,3,5] triazine derivative and salt thereof and application of derivative and salt thereof in preparation of anti-cancer drugs 陕西师范大学 2022-03-15 — — CN disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 — — US disclosed
CN-106795144-A Compounds and compositions for modulating EGFR mutant kinase activity 株式会社柳韩洋行 2017-05-31 — — CN disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 — — US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 — — US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 — — US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 — — US disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 — — WO disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 — — WO disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-20010005914-A1 OXIDATION DYES ANDREAS J. BITTNER 2001-07-05 — — US disclosed
EP-0912160-A2 OXIDATION DYES Hans Schwarzkopf GmbH & Co. KG (DE) 1999-05-06 — — EP disclosed
WO-1998001106-A2 OXIDATION DYES HANS SCHWARZKOPF GMBH & CO. KG (DE) 1998-01-15 — — WO disclosed
US-RE30798-E BY REACTING 4-FLUORO-3-NITROANILINES WITH AMMONIA OR A PRIMARY OR SECONDARY AMINE CLAIROL INCORPORATED (US) 1981-11-17 — — 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 (6 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-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885LMNA 3015/4885TDP1 1953/4885
US-20010005914-A1 OXIDATION DYES AOC1, CBR3, KRT18 MAPT 3633/4885LMNA 1692/4885TDP1 2540/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885LMNA 2409/4885TDP1 2415/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAPT 1888/4885LMNA 2409/4885TDP1 2415/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885LMNA 3115/4885TDP1 1914/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885LMNA 3115/4885TDP1 1914/4885

“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.