SCHEMBL562649

SCHEMBL562649

COCOc1cc(C)c(-c2cccc(C(=O)OC)c2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44
IGF1R P08069 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
LTK P29376 1/20 0.44
GRK5 P34947 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44
MAPK8 P45983 1/20 0.44

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
SCHEMBL9934610 0.82 FFAR1 (0.43) SLC6A2SLC6A4SLC6A3PDCD1CD274
SCHEMBL10010164 0.81 FFAR1 (0.48) FFAR4
SCHEMBL1707844 0.81 CYP3A4 (0.45) SLC6A2SLC6A4SLC6A3MAPTHTT
SCHEMBL2898209 0.80 MYC (0.54) FGFR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL17385928 0.78 CHEK1 (0.39) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL562140 0.77 CD274 (0.46) FYNPDCD1CD274
SCHEMBL2911775 0.77 PDCD1 (0.38) SLC6A2SLC6A4SLC6A3PDCD1CD274
SCHEMBL563219 0.76 MAPK14 (0.40)
SCHEMBL29634134 0.75 TSHR (0.53) SLC6A2SLC6A4SLC6A3MAPTHTT
SCHEMBL19849652 0.75 TSHR (0.53) SLC6A2SLC6A4SLC6A3MAPTHTT

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
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
EP-2423176-A1 CARBOXYLIC ACID COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
US-20120035196-A1 CARBOXYLIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-09 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 (2 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-20120035196-A1 CARBOXYLIC ACID COMPOUND GPR119, GPR65, GPR55 CHEK1 4607/4885AURKA 3649/4885DAPK3 4200/4885
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R CHEK1 3999/4885AURKA 4505/4885DAPK3 3038/4885

“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.