SCHEMBL3568622

SCHEMBL3568622

O=C(Nc1cc(C2C[CH]C2)n[nH]1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.42
HDAC2 Q92769 9/20 0.42
HDAC3 O15379 6/20 0.39
MAPK8 P45983 2/20 0.38
MAPK10 P53779 2/20 0.38
MAPK14 Q16539 2/20 0.38
ULK1 O75385 1/20 0.37
KDM5A P29375 1/20 0.37
MAPK1 P28482 1/20 0.37
ABL1 P00519 1/20 0.36
ITK Q08881 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
TGFBR1 P36897 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 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
SCHEMBL3256189 0.88 MEN1 (0.47) ABL1CCNA2CDK2GSK3AGSK3B
SCHEMBL3556396 0.87 ALOX15 (0.46) ABL1CCNA2CDK2ALDH1A1HPGD
SCHEMBL3257632 0.87 ALOX15 (0.46) ABL1CCNA2CDK2ALDH1A1HPGD
SCHEMBL6390885 0.85 HDAC1 (0.40) HDAC1HDAC2HDAC3MAPK8MAPK10
SCHEMBL6390874 0.84 HDAC1 (0.40) HDAC1HDAC2HDAC3MAPK8MAPK10
SCHEMBL6390880 0.84 HDAC1 (0.40) HDAC1HDAC2HDAC3MAPK8MAPK10
SCHEMBL5867668 0.81 ABL1 (0.43) ULK1ABL1CDK2GSK3AGSK3B
SCHEMBL3569427 0.80 CDK2 (0.36) HDAC1HDAC2HDAC3MAPK8MAPK10
SCHEMBL3127326 0.74 PKM (0.40) MAPK1CDK2GSK3BALDH1A1HPGD
SCHEMBL3127315 0.74 PKM (0.40) MAPK1CDK2GSK3BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC1 200/4885HDAC2 527/4885HDAC3 145/4885

“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.