SCHEMBL4764656

SCHEMBL4764656

CCN1CCN(c2nc(-c3ccc(O)cc3)cc3cscc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
CYP2D6 P10635 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 4/20 0.37
POLB P06746 2/20 0.37
GBA1 P04062 1/20 0.37
HPGD P15428 1/20 0.37
PAX8 Q06710 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL4774318 0.86 HRH3 (0.49) CYP2D6CNR1CNR2LMNAMAPT
SCHEMBL4772647 0.85 SYK (0.40) CYP2D6CNR1CNR2SMN1; SMN2LMNA
SCHEMBL4763526 0.84 PRMT5 (0.39) CYP2D6CNR1CNR2SMN1; SMN2LMNA
SCHEMBL4764112 0.83 SMN1; SMN2 (0.47) FGFR1FGFR2CYP2D6CNR1CNR2
Oxalic Acid SCHEMBL4791621 0.83 HRH3 (0.44) SMN1; SMN2LMNAMAPTKMT2AMEN1
Oxalic Acid SCHEMBL4842074 0.81 ALDH1A1 (0.43) CYP2D6CNR1CNR2SMN1; SMN2LMNA
SCHEMBL4763741 0.81 CSNK2A2 (0.43) FGFR1FGFR2CYP2D6CNR1CNR2
Hydrochloric Acid SCHEMBL4772350 0.80 CSNK2A2 (0.42) FGFR1FGFR2CYP2D6CNR1CNR2
SCHEMBL4773526 0.79 FGFR1 (0.41) FGFR1FGFR2CYP2D6CNR1CNR2
SCHEMBL4772618 0.77 MEN1 (0.37) CYP2D6CNR1CNR2MAPTKMT2A

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 FGFR1 3070/4885FGFR2 3709/4885CYP2D6 3573/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 FGFR1 3362/4885FGFR2 3560/4885CYP2D6 2558/4885

“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.