SCHEMBL4769237

SCHEMBL4769237

CCN1CCN(c2nc(Br)cc3sccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 4/20 0.48
POLB P06746 2/20 0.48
GBA1 P04062 2/20 0.48
HPGD P15428 1/20 0.48
PAX8 Q06710 1/20 0.48
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2D6 P10635 2/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL4766321 0.83 HTT (0.45) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL4765885 0.80 RXFP1 (0.46) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL4763741 0.78 CSNK2A2 (0.43) SMN1; SMN2HTTPOLBGBA1HPGD
Hydrochloric Acid SCHEMBL4772350 0.77 CSNK2A2 (0.42) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL4763429 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL3680468 0.77 HTR2C (0.63)
SCHEMBL14102732 0.77 CSNK2A2 (0.41) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL4770376 0.77 HRH3 (0.48) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL4772547 0.77 CSNK2A2 (0.41) SMN1; SMN2HTTPOLBGBA1HPGD
SCHEMBL4773708 0.76 SMN1; SMN2 (0.39) SMN1; SMN2HTTPOLBGBA1HPGD

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 SMN1; SMN2 27/4885HTT 2446/4885POLB 3161/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMN1; SMN2 37/4885HTT 2151/4885POLB 3192/4885

“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.