SCHEMBL4773708

SCHEMBL4773708

C#Cc1ccc(-c2cc3sccc3c(N3CCN(CC)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.39
GBA1 P04062 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP2D6 P10635 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HRH4 Q9H3N8 3/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4768990 0.88 CSNK2A2 (0.38) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4763741 0.86 CSNK2A2 (0.43) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4766321 0.86 HTT (0.45) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4764410 0.85 MAP3K14 (0.38) SMN1; SMN2POLBGBA1HPGDHTT
Hydrochloric Acid SCHEMBL4772350 0.85 CSNK2A2 (0.42) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4770376 0.84 HRH3 (0.48) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4772547 0.84 CSNK2A2 (0.41) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL14102732 0.84 CSNK2A2 (0.41) SMN1; SMN2POLBGBA1HPGDHTT
SCHEMBL4770666 0.82 HPGD (0.40) SMN1; SMN2POLBGBA1HPGDHTT
Pyridine SCHEMBL4769403 0.82 SMN1; SMN2 (0.40) SMN1; SMN2POLBGBA1HPGDHTT

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 8 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
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 SMN1; SMN2 27/4885POLB 3161/4885GBA1 4305/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885POLB 3192/4885GBA1 4235/4885

“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.