Sugi Predict

Sugi Predict / Compounds / SCHEMBL22284153

SCHEMBL22284153

SCHEMBL22284153

CC(C)c1cccc([C@@H](C)NC(=O)c2nc3cc4c(-c5ccncc5)nn(C(c5ccccc5)(c5ccccc5)c5ccccc5)c4cc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.40
▸ MAPK3 P27361 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ROCK1 Q13464 9/20 0.37
▸ ROCK2 O75116 6/20 0.37
▸ GSK3A P49840 6/20 0.37
▸ GSK3B P49841 6/20 0.37
▸ PRKACA P17612 5/20 0.37
▸ PRKG1 Q13976 4/20 0.37
▸ PRKX P51817 4/20 0.37
▸ CLK4 Q9HAZ1 4/20 0.37
▸ RPS6KB1 P23443 3/20 0.37
▸ PRKCD Q05655 3/20 0.37
▸ PKN2 Q16513 3/20 0.37
▸ SGK2 Q9HBY8 3/20 0.37
▸ RPS6KA3 P51812 3/20 0.37
▸ AURKB Q96GD4 3/20 0.37
▸ RPS6KA5 O75582 2/20 0.37
▸ CDK1 P06493 2/20 0.37

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
SCHEMBL22284155 1.00 MAPK1 (0.40) MAPK1MAPK3PKMHTTROCK1
SCHEMBL30554317 1.00 MAPK1 (0.40) MAPK1MAPK3PKMHTTROCK1
SCHEMBL22284303 0.95 ROCK2 (0.42) MAPK1MAPK3PKMHTTROCK1
SCHEMBL30554287 0.95 ROCK2 (0.42) MAPK1MAPK3PKMHTTROCK1
SCHEMBL22284300 0.95 ROCK2 (0.42) MAPK1MAPK3PKMHTTROCK1
SCHEMBL22284238 0.93 MAPK1 (0.39) MAPK1MAPK3PKMHTTROCK1
SCHEMBL22284237 0.93 MAPK1 (0.39) MAPK1MAPK3PKMHTTROCK1
SCHEMBL22284219 0.93 MAPK1 (0.49) MAPK1MAPK3PKMHTTROCK1
SCHEMBL20920136 0.93 MAPK1 (0.39) MAPK1MAPK3PKMHTTROCK1
SCHEMBL22284223 0.93 ROCK2 (0.40) MAPK1MAPK3PKMHTTROCK1

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 6 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
CN-110546150-B Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof 江苏豪森药业集团有限公司 2021-12-21 — — CN disclosed
CN-112020357-A Salts of indazolyl-containing tricyclic derivatives and crystal forms thereof 上海翰森生物医药科技有限公司 2020-12-01 — — CN 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
CN-110546150-A Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO LTD 2019-12-06 — — CN 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 MAPK1 1/4885MAPK3 14/4885PKM 141/4885

“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.