SCHEMBL3516952

SCHEMBL3516952

O=[N+]([O-])c1cc(F)c2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
NOS1 P29475 3/20 0.53
POLB P06746 1/20 0.53
MAOB P27338 1/20 0.53
CYP3A4 P08684 2/20 0.49
LMNA P02545 2/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
NOS3 P29474 1/20 0.45
CYP2C19 P33261 1/20 0.45
NOS2 P35228 1/20 0.45

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
SCHEMBL11576616 0.81 MAPT (0.58) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL1456660 0.80 NOS1 (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL20110644 0.80 MAPT (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL760017 0.80 MAPT (0.53) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL1456967 0.74 MAPT (0.50) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL11577937 0.74 METAP2 (0.39) MAPTNOS1LRRK2
SCHEMBL10179371 0.71 ALDH1A1 (0.41) MAPTNOS1POLBMAOBLMNA
SCHEMBL29730539 0.70 MAPT (0.57) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL1496173 0.70 MAPT (0.57) MAPTNOS1POLBMAOBCYP3A4
SCHEMBL27139257 0.70 NOS1 (0.53) MAPTNOS1POLBMAOBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-07 US disclosed
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 CN disclosed
CN-117756805-A Pteridinone derivatives as RSK inhibitors and their use 华东师范大学 2024-03-26 CN disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors ESCAPE Bio, Inc. (US) 2022-08-30 US disclosed
EP-3997081-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS Escape Bio, Inc. (US) 2022-05-18 EP disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
EP-3164509-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2021-12-29 EP disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-10414750-B2 Inhibitors of lysine specific demethylase-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-09-17 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RESEARCH, INC. (US) 2019-06-27 US disclosed
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2018-09-20 US disclosed
EP-3164509-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2017-05-10 EP disclosed
WO-2016004105-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 WO disclosed
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 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 (8 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-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF ROCK2, ROCK1, RHOA MAPT 1272/4885NOS1 79/4885POLB 4124/4885
US-11427558-B1 Indazoles and azaindazoles as LRRK2 inhibitors LRRK2, PARK7, GDI2 MAPT 66/4885NOS1 3421/4885POLB 4324/4885
US-10414750-B2 Inhibitors of lysine specific demethylase-1 KDM1B, KDM1A, KDM3A MAPT 3093/4885NOS1 854/4885POLB 2723/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 MAPT 66/4885NOS1 3421/4885POLB 4324/4885
US-20190194161-A1 INHIBITOR OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A MAPT 2977/4885NOS1 896/4885POLB 2745/4885
US-20190194162-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A MAPT 3093/4885NOS1 854/4885POLB 2723/4885
US-20180265491-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 KDM1B, KDM1A, KDM3A MAPT 3093/4885NOS1 854/4885POLB 2723/4885
US-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 MAPT 2039/4885NOS1 319/4885POLB 3107/4885

“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.