Sugi Predict

Sugi Predict / Compounds / SCHEMBL20920119

SCHEMBL20920119

SCHEMBL20920119

O=[N+]([O-])c1cc2c(-c3ccncc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 4/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ LRRK2 Q5S007 2/20 0.38
▸ HTT P42858 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16620034 0.91 L3MBTL1 (0.41) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL30554363 0.89 ALDH1A1 (0.39) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL20916813 0.89 ALDH1A1 (0.39) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL20916774 0.88 L3MBTL1 (0.36) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL18024683 0.88 L3MBTL1 (0.36) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL20920127 0.86 L3MBTL1 (0.38) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL30554306 0.85 MAPT (0.41) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL20916814 0.85 MAPT (0.41) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL20916815 0.85 MAPT (0.41) L3MBTL1MAPTNPSR1LMNAGAA
SCHEMBL16619577 0.85 CTSB (0.42) L3MBTL1MAPTNPSR1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112020357-B Salt of indazolyl-containing tricyclic derivative and crystal form thereof 上海翰森生物医药科技有限公司 2023-08-29 — — CN disclosed
WO-2020200161-A1 SALT OF INDAZOLYL-CONTAINING TRICYCLIC DERIVATIVE AND CRYSTAL FORM THEREOF 上海翰森生物医药科技有限公司 2020-10-08 — — WO disclosed
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 — — EP disclosed
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 — — US disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 — — 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 (1 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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 L3MBTL1 3754/4885MAPT 3727/4885NPSR1 3041/4885

“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.