SCHEMBL3256189

SCHEMBL3256189

O=C(Nc1cc(C2C[CH]C2)n[nH]1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA1 P30542 5/20 0.40
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABL1 P00519 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PTPN1 P18031 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
FOXO1 Q12778 1/20 0.37

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
SCHEMBL3257632 0.99 ALOX15 (0.46) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL3556396 0.99 ALOX15 (0.46) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL3568622 0.88 HDAC1 (0.42) TSHRABL1GSK3AGSK3BHPGD
SCHEMBL5867668 0.84 ABL1 (0.43) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL6391272 0.83 ALOX15 (0.44) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL6391269 0.82 HTT (0.43) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL6391267 0.82 HTT (0.43) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL3563449 0.78 SMN1; SMN2 (0.40) MEN1KMT2AALOX15HTTSMN1; SMN2
SCHEMBL3244773 0.76 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ADORA1ADORA2A
SCHEMBL3260157 0.76 ADORA1 (0.39) MEN1KMT2AHTTSMN1; SMN2ADORA1

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
EP-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 EP claimed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP MEN1 2015/4885KMT2A 1576/4885ALOX15 3189/4885

“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.