SCHEMBL4773680

SCHEMBL4773680

CN1CCN(c2nc(-c3ccc(O)cc3)cc3sccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ADORA1 P30542 1/20 0.42
SOS2 Q07890 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
GRIA1 P42261 1/20 0.40
HRH4 Q9H3N8 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP1 P11387 2/20 0.39
TOP2A P11388 2/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4768615 0.89 ESR1 (0.43) CSNK2A2CSNK2BCSNK2A1LMNAHRH1
SCHEMBL4763741 0.88 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1LMNAMAPT
SCHEMBL4763723 0.87 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1HRH1
SCHEMBL4771425 0.87 HRH1 (0.49) CSNK2A2CSNK2BCSNK2A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4772350 0.87 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1LMNAMAPT
SCHEMBL4771273 0.83 RAB9A (0.46) CSNK2A2CSNK2BCSNK2A1LMNAGAA
SCHEMBL4770011 0.83 CSNK2A2 (0.41) CSNK2A2CSNK2BCSNK2A1SOS2LMNA
SCHEMBL4770014 0.83 NOS3 (0.43) CSNK2A2CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL4794535 0.82 RAB9A (0.45) CSNK2A2CSNK2BCSNK2A1LMNAGAA
SCHEMBL4774123 0.82 GBA1 (0.48) CSNK2A2CSNK2BCSNK2A1GRIA1

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 CSNK2A2 887/4885CSNK2B 862/4885CSNK2A1 661/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CSNK2A2 2189/4885CSNK2B 1865/4885CSNK2A1 1779/4885

“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.