SCHEMBL4764267

SCHEMBL4764267

Brc1ccccc1C1=CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.48
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PDE10A Q9Y233 3/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8786339 0.78 ALDH1A1 (0.43) MAPK14CSNK1DCSNK1EALDH1A1PDCD1
SCHEMBL29691299 0.76 CCNT1 (0.39) MAPK14CSNK1DCSNK1EPIK3CDPIK3CA
SCHEMBL23210096 0.76 CCNT1 (0.39) MAPK14CSNK1DCSNK1EPIK3CDPIK3CA
SCHEMBL28547366 0.76 ALDH1A1 (0.46) ALDH1A1MAPK1MAOAMAOB
SCHEMBL18857842 0.74 MAPK14 (0.47) MAPK14CSNK1DCSNK1EPIK3CDPIK3CA
SCHEMBL18587157 0.73 GPBAR1 (0.42) MAPK14ALDH1A1PIK3CAPDE3BPDE3A
SCHEMBL26530979 0.71 PDCD1 (0.49) MAPK14CSNK1DCSNK1EPDCD1CD274
SCHEMBL5863208 0.71 PTGS2 (0.41) ALDH1A1MAPK1MAOAMAOB
SCHEMBL4772120 0.71 HTR2C (0.46) MAPK14CSNK1DCSNK1EALDH1A1MAPK1
SCHEMBL25223348 0.70 AHR (0.34) MAPK14PIK3CDPIK3CAPDE3BPDE3A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 MAPK14 2093/4885CSNK1D 2205/4885CSNK1E 1769/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 MAPK14 3574/4885CSNK1D 1726/4885CSNK1E 1892/4885

“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.