SCHEMBL4774166

SCHEMBL4774166

CSc1ccc(-c2cc3ccccc3c(N3CCN(C=O)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
PKN2 Q16513 1/20 0.43
GBA1 P04062 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
PRKD1 Q15139 2/20 0.37
PIK3CD O00329 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
ALDH1A3 P47895 1/20 0.35

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
SCHEMBL4764726 0.84 SMN1; SMN2 (0.46) ROCK2ROCK1PKN2GBA1ALDH1A1
SCHEMBL4772049 0.84 LMNA (0.47) GBA1KDM4EALDH1A1MAPTMAPK1
SCHEMBL4774345 0.83 GBA1 (0.47) ROCK2ROCK1PKN2GBA1KDM4E
Hydrochloric Acid SCHEMBL6860795 0.83 SMN1; SMN2 (0.45) ROCK2ROCK1PKN2GBA1ALDH1A1
SCHEMBL14102714 0.81 ROCK2 (0.43) ROCK2ROCK1PKN2GBA1KDM4E
SCHEMBL4766376 0.81 KMT2A (0.46) GBA1KDM4EALDH1A1MAPTADORA3
SCHEMBL4766020 0.78 GBA1 (0.43) ROCK2ROCK1PKN2GBA1KDM4E
SCHEMBL4774328 0.78 GBA1 (0.43) ROCK2ROCK1PKN2GBA1KDM4E
SCHEMBL4774179 0.74 GBA1 (0.52) ROCK2ROCK1PKN2GBA1KDM4E
SCHEMBL4769201 0.74 SMN1; SMN2 (0.45) ROCK2ROCK1PKN2GBA1ALDH1A1

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 ROCK2 3313/4885ROCK1 2976/4885PKN2 1204/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ROCK2 1825/4885ROCK1 1087/4885PKN2 1418/4885

“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.