SCHEMBL4773526

SCHEMBL4773526

CCN1CCN(c2nc(-c3ccc(O)cc3)cc3ccsc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
RXFP1 Q9HBX9 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
GBA1 P04062 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PIK3CA P42336 3/20 0.36
MTOR P42345 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALDH1A1 P00352 2/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL4774363 0.88 ADORA1 (0.43) SMN1; SMN2HPGDMEN1KMT2APIK3CA
SCHEMBL4764263 0.86 HRH3 (0.49) SMN1; SMN2POLBHPGDMEN1KMT2A
SCHEMBL14102734 0.86 CHEK1 (0.43) RXFP1SMN1; SMN2POLBHPGDGBA1
Hydrochloric Acid SCHEMBL4774204 0.85 HRH3 (0.48) SMN1; SMN2POLBHPGDMEN1KMT2A
SCHEMBL4772896 0.85 SYK (0.40) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL4765464 0.85 SYK (0.39) RXFP1SMN1; SMN2POLBHPGDGBA1
SCHEMBL4766183 0.85 RXFP1 (0.41) RXFP1SMN1; SMN2POLBHPGDGBA1
SCHEMBL4766184 0.85 RXFP1 (0.39) RXFP1SMN1; SMN2POLBHPGDGBA1
SCHEMBL4772279 0.84 RXFP1 (0.46) RXFP1SMN1; SMN2POLBHPGDGBA1
SCHEMBL4772505 0.84 RXFP1 (0.46) RXFP1SMN1; SMN2MEN1KMT2ASYK

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 3709/4885RXFP1 634/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 FGFR1 3362/4885FGFR2 3560/4885RXFP1 82/4885

“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.