SCHEMBL4773267

SCHEMBL4773267

CCCS(=O)(=O)Nc1ccc(-c2cc3ccccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
PKN2 Q16513 2/20 0.41
PLK4 O00444 1/20 0.41
DCLK1 O15075 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
ROS1 P08922 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
TYK2 P29597 1/20 0.41
AKT1 P31749 1/20 0.41
KDR P35968 1/20 0.41
CLK2 P49760 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
Hydrochloric Acid SCHEMBL4763419 0.99 ROCK2 (0.41) ROCK2ROCK1PKN2PLK4DCLK1
SCHEMBL4774037 0.94 SGK1 (0.41) ROCK2ROCK1PKN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4775760 0.93 SGK1 (0.40) ROCK2ROCK1PKN2ALDH1A1THRB
SCHEMBL4774271 0.93 ALDH1A1 (0.47) ROCK2ROCK1PKN2PLK4DAPK3
Hydrochloric Acid SCHEMBL4771060 0.92 ALDH1A1 (0.46) ROCK2ROCK1PKN2KDRALDH1A1
SCHEMBL14102700 0.85 TEAD4 (0.40) ROCK2ROCK1PKN2KDRALDH1A1
SCHEMBL4773670 0.85 GBA1 (0.44) ROCK2ROCK1PKN2KDM4EHPGD
Hydrochloric Acid SCHEMBL4773842 0.84 GBA1 (0.43) ROCK2ROCK1PKN2KDM4ESMN1; SMN2
SCHEMBL4769560 0.82 ALDH1A1 (0.40) ROCK2ROCK1PKN2KDM4EALDH1A1
SCHEMBL4763833 0.82 SMN1; SMN2 (0.43) ROCK2ROCK1PKN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US claimed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP claimed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
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.