SCHEMBL4774464

SCHEMBL4774464

CS(=O)(=O)c1ccc(-c2cc3ccccc3c(N3CCNCC3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58
PKN2 Q16513 1/20 0.58
PRKD1 Q15139 3/20 0.51
PRKCA P17252 3/20 0.51
PRKCD Q05655 3/20 0.51
PRKCB P05771 2/20 0.51
PRKCH P24723 2/20 0.51
PRKCE Q02156 2/20 0.51
PRKCQ Q04759 2/20 0.51
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTR2C P28335 1/20 0.46
GBA1 P04062 1/20 0.45
HTR6 P50406 7/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4766761 0.86 ROCK2 (0.53) ROCK2ROCK1PKN2PRKD1PRKCA
SCHEMBL4774345 0.85 GBA1 (0.47) ROCK2ROCK1PKN2GBA1KDM4E
SCHEMBL4773646 0.85 ROCK2 (0.53) ROCK2ROCK1PKN2PRKD1PRKCA
SCHEMBL4774138 0.84 GBA1 (0.46) ROCK2ROCK1PKN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4772953 0.83 GBA1 (0.46) ROCK2ROCK1PKN2CYP1A2CYP2D6
SCHEMBL4771287 0.81 ROCK2 (0.60) ROCK2ROCK1PKN2PRKD1PRKCA
SCHEMBL4770751 0.77 PRKCB (0.56) ROCK2ROCK1PKN2PRKD1PRKCA
SCHEMBL4763994 0.75 GBA1 (0.46) ROCK2ROCK1PKN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4768888 0.74 GBA1 (0.46) ROCK2ROCK1PKN2CYP1A2CYP2D6
SCHEMBL6092156 0.73 HTR2C (0.59) ROCK2ROCK1PKN2PRKD1CYP1A2

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.