Sugi Predict

Sugi Predict / Compounds / SCHEMBL22284367

SCHEMBL22284367

SCHEMBL22284367

C[C@@H](NC(=O)c1nc2cc3c(-c4ccncc4)nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3cc2[nH]1)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.37
▸ PDE2A O00408 4/20 0.37
▸ ROCK2 O75116 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ RPS6KA5 O75582 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ RPS6KA3 P51812 1/20 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
SCHEMBL30554292 1.00 BACE1 (0.37) BACE1BACE2PDE2AROCK2MAPK1
SCHEMBL22284368 1.00 BACE1 (0.37) BACE1BACE2PDE2AROCK2MAPK1
SCHEMBL22284300 0.95 ROCK2 (0.42) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL30554287 0.95 ROCK2 (0.42) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL22284303 0.95 ROCK2 (0.42) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL30554296 0.94 PDE2A (0.44) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL22284158 0.94 PDE2A (0.44) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL22284157 0.94 PDE2A (0.44) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL22284254 0.93 PHGDH (0.39) PDE2AROCK2MAPK1RPS6KA5MAP4K4
SCHEMBL22284255 0.93 PHGDH (0.39) PDE2AROCK2MAPK1RPS6KA5MAP4K4

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 BACE1 99/4885BACE2 518/4885PDE2A 3605/4885

“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.