SCHEMBL8835

SCHEMBL8835

CC(C)(O)C(C)(C)OB(O)c1ccc2[nH]ncc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.41
GSK3B P49841 4/20 0.41
PIM1 P11309 3/20 0.41
AURKB Q96GD4 3/20 0.41
CLK2 P49760 2/20 0.41
CDK5 Q00535 2/20 0.41
DYRK1A Q13627 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
MET P08581 2/20 0.41
JAK2 O60674 2/20 0.41
PAK4 O96013 2/20 0.41
KDR P35968 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
NTRK1 P04629 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL8531 0.89 METAP2 (0.40) DYRK1AFGFR1NOS1MAPTMETAP2
SCHEMBL15778365 0.80 PIK3C3 (0.33)
SCHEMBL8622 0.78 ENPP2 (0.41) MAPTRAB9AGAAMAOBNPC1
SCHEMBL2350927 0.77 AXL (0.42) MAPTRAB9AKDM4EMEN1ALDH1A1
SCHEMBL18189751 0.75
SCHEMBL29636278 0.74 ROCK2 (0.53) ROCK1GSK3BPIM1AURKBCLK2
SCHEMBL481818 0.74 ROCK2 (0.53) ROCK1GSK3BPIM1AURKBCLK2
SCHEMBL517925 0.74 CA1 (0.50) CDK5KDM4EALDH1A1TDP1CDK5R1
SCHEMBL2361665 0.73 MMP12 (0.34) MAPTKDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL29957203 0.73 ROCK2 (0.52) ROCK1GSK3BPIM1AURKBCLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360095-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2024-10-31 US disclosed
EP-3825322-B1 POLYPEPTIDE COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION THEREOF CHENGDU SINTANOVO BIOTECHNOLOGY CO LTD (CN) 2024-03-20 EP disclosed
CN-114072387-B Indazole compound, pharmaceutical composition and application thereof 暨南大学 2024-03-08 CN disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11643436-B2 Polypeptide compound, pharmaceutical composition, preparation method and application thereof CHENGDU SINTANOVO BIOTECHNOLOGY CO., LTD. (CN) 2023-05-09 US disclosed
EP-4056558-A1 INDAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF Jinan University (CN) 2022-09-14 EP disclosed
US-20220281821-A1 INDAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL COMPOSITIONS JINAN UNIVERSITY (CN) 2022-09-08 US disclosed
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
CN-114072387-A Indazole compound and medicinal composition and application thereof 暨南大学 2022-02-18 CN disclosed
CN-108026110-B Fused tricyclic compounds as protein kinase inhibitors 国家公共部门基金会卡洛斯三世国家癌症研究中心(F.S.P.CNIO) 2022-02-08 CN disclosed
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
EP-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP disclosed
US-20120059001-A1 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2012-03-08 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2011101640-A1 FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-08-25 WO disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO disclosed
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 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 (8 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 ROCK1 140/4885GSK3B 33/4885PIM1 1264/4885
US-20240360095-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ROCK1 477/4885GSK3B 255/4885PIM1 735/4885
US-11643436-B2 Polypeptide compound, pharmaceutical composition, preparation method and application thereof OPRL1, OPRK1, OPRM1 ROCK1 3946/4885GSK3B 1482/4885PIM1 3981/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 ROCK1 714/4885GSK3B 716/4885PIM1 337/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ROCK1 477/4885GSK3B 255/4885PIM1 735/4885
US-20220281821-A1 INDAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL COMPOSITIONS TNK2, TNNI3K, CSNK1G3 ROCK1 296/4885GSK3B 34/4885PIM1 335/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ROCK1 106/4885GSK3B 285/4885PIM1 802/4885
US-20120059001-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ROCK1 477/4885GSK3B 255/4885PIM1 735/4885

“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.