SCHEMBL2018887

SCHEMBL2018887

O=[N+]([O-])c1ccc(-c2cn[nH]c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.52
AKT1 P31749 1/20 0.52
MAPT P10636 6/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 3/20 0.45
XDH P47989 1/20 0.45
MAOB P27338 1/20 0.45
NOS1 P29475 1/20 0.45
APP P05067 1/20 0.44
ROCK2 O75116 2/20 0.44

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
SCHEMBL1979460 0.80 ROCK2 (0.43) AKT2AKT1MAPTLMNAALDH1A1
SCHEMBL1015607 0.80 IDO1 (0.61) AKT2AKT1MAPTLMNAALDH1A1
SCHEMBL16432987 0.79 AKT2 (0.76) AKT2AKT1ROCK2ACVR1
SCHEMBL15689115 0.79 AKT2 (0.76) AKT2AKT1ROCK2ACVR1
SCHEMBL1978170 0.79 ROCK2 (0.47) AKT2AKT1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL1013817 0.78 IDO1 (0.60) AKT2AKT1MAPTLMNAALDH1A1
SCHEMBL29071558 0.77 AKT2 (0.43) AKT2AKT1MAPTLMNARAB9A
SCHEMBL5070333 0.77 MAPT (0.56) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL6423919 0.77 CA1 (0.67) MAPTLMNAALDH1A1KDM4EGAA
SCHEMBL28198 0.77 CA1 (0.67) MAPTLMNAALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206197-B1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2026-01-28 EP disclosed
US-20230303534-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303534-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303534-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
EP-4206197-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD Beijing Tide Pharmaceutical Co., Ltd. (CN) 2023-07-05 EP disclosed
CN-115996727-A Process for preparing Rho related protein kinase inhibitors and intermediates in the process 北京泰德制药股份有限公司 2023-04-21 CN disclosed
CN-111601807-B Exo-azaspiro inhibitors of MENIN-MLL interactions 詹森药业有限公司 2023-03-31 CN disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 US disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 US disclosed
WO-2022042711-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD 北京泰德制药股份有限公司 2022-03-03 WO disclosed
EP-3313825-A1 GLUCOSE UPTAKE INHIBITORS Kadmon Corporation, LLC (US) 2018-05-02 EP disclosed
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 WO disclosed
WO-2016210330-A1 GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC (US) 2016-12-29 WO disclosed
WO-2016210331-A1 TREATMENT OF INFECTIOUS DISEASES WITH GLUCOSE UPTAKE INHIBITORS KADMON CORPORATION, LLC (US) 2016-12-29 WO disclosed
WO-2014079850-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 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 (5 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 AKT2 1555/4885AKT1 1203/4885MAPT 4202/4885
US-20230303534-A1 PREPARATION METHOD FOR NOVEL RHO-RELATED PROTEIN KINASE INHIBITOR AND INTERMEDIATE IN PREPARATION METHOD ROCK1, ROCK2, ARHGDIA AKT2 134/4885AKT1 61/4885MAPT 1991/4885
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED AKT2 1137/4885AKT1 396/4885MAPT 3725/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 AKT2 1555/4885AKT1 1203/4885MAPT 4202/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 AKT2 1320/4885AKT1 554/4885MAPT 3877/4885

“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.