SCHEMBL622295

SCHEMBL622295

O=c1cnc2ccc(Br)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.50
MAPKAPK2 P49137 1/20 0.50
CSNK2A1 P68400 1/20 0.50
PLK3 Q9H4B4 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
MMP13 P45452 4/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
MAPT P10636 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.42
PIM1 P11309 2/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL29591452 1.00 RPS6KA3 (0.50) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL4135759 0.85 DYRK1A (0.49) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL782851 0.85 RPS6KA3 (0.64) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL30637065 0.78 MAPKAPK2 (0.50) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL9228663 0.78 MAPKAPK2 (0.50) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL12178204 0.78 MAPKAPK2 (0.74) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL706055 0.78 MAPKAPK2 (0.50) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL18211315 0.78 MAPKAPK2 (0.50) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL2619124 0.78 MAPKAPK2 (0.50) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1
SCHEMBL31214307 0.77 RPS6KA3 (0.53) RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108926-B Intermediate compound for preparing erdasatinib and preparation method 上海工程技术大学 2023-06-20 CN claimed
CN-115108926-A Intermediate compound for preparing erdastinib and preparation method 上海工程技术大学 2022-09-27 CN claimed
US-12351571-B2 Substituted quinoxaline compounds as inhibitors of FGFR tyrosine kinases ARRAY BIOPHARMA INC. (US) 2025-07-08 US disclosed
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
CN-116535389-B 6-Pyridine-3-quinoxaline urea derivative and application thereof 四川大学 2024-05-03 CN disclosed
US-20240116880-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2024-04-11 US disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
CN-116887833-A Certain chemical entities, compositions and methods 润新生物公司 2023-10-13 CN disclosed
EP-4255434-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2023-10-11 EP disclosed
CN-116535389-A 6-pyridine-3-quinoxaline urea derivative and application thereof 四川大学 2023-08-04 CN disclosed
CN-115108926-B Intermediate compound for preparing erdasatinib and preparation method 上海工程技术大学 2023-06-20 CN disclosed
EP-1723146-A1 FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
WO-2005092894-A1 FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS ELI LILLY AND COMPANY (US) 2005-10-06 WO disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 WO disclosed
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 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 (3 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-20240116880-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, RB1 RPS6KA3 3411/4885MAPKAPK2 4485/4885CSNK2A1 2341/4885
US-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 RPS6KA3 998/4885MAPKAPK2 134/4885CSNK2A1 312/4885
US-12351571-B2 Substituted quinoxaline compounds as inhibitors of FGFR tyrosine kinases FGFR3, FGFR4, FGFR1 RPS6KA3 287/4885MAPKAPK2 1389/4885CSNK2A1 1556/4885

“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.