SCHEMBL6427872

SCHEMBL6427872

O=C1CC[C@@H](C(=O)NCc2cc3c(-c4ccc5ccccc5c4)n[nH]c3s2)N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NTRK1 P04629 2/20 0.36
S1PR5 Q9H228 8/20 0.35
S1PR4 O95977 7/20 0.35
PARP1 P09874 2/20 0.35
EPHX2 P34913 1/20 0.34
GSK3B P49841 1/20 0.33
HPGDS O60760 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL14075027 0.86 GSK3B (0.44) KMT2AS1PR5S1PR4GSK3B
SCHEMBL4137031 0.81 S1PR5 (0.42) SMN1; SMN2S1PR5S1PR4GSK3B
SCHEMBL6426335 0.77 KMT2A (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL5030016 0.75 TSHR (0.40) SMN1; SMN2KMT2A
SCHEMBL6427096 0.75 MAPT (0.47) SMN1; SMN2MEN1KMT2A
SCHEMBL4144980 0.73 HPGD (0.47)
SCHEMBL4149014 0.73 RAB9A (0.52) SMN1; SMN2MEN1KMT2AGSK3B
SCHEMBL4335983 0.72 MEN1 (0.51) SMN1; SMN2MEN1KMT2ANTRK1PARP1
SCHEMBL4331235 0.72 MEN1 (0.46) SMN1; SMN2MEN1KMT2APARP1GSK3B
SCHEMBL4333966 0.72 MEN1 (0.46) SMN1; SMN2MEN1KMT2APARP1GSK3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US 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 (1 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3772/4885MEN1 4470/4885KMT2A 741/4885

“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.