SCHEMBL3134247

SCHEMBL3134247

O=C(NCc1ccccn1)O[C@H]1C[C@@H](c2cc(NC(=O)C3CCCC3)[nH]n2)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.44
CDK2 P24941 5/20 0.44
GSK3B P49841 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3134241 1.00 CCNE1 (0.44) CCNE1CDK2GSK3BCYP3A4SMN1; SMN2
SCHEMBL3127556 0.99 CYP3A4 (0.45) CCNE1CDK2GSK3BCYP3A4SMN1; SMN2
SCHEMBL3127565 0.99 CYP3A4 (0.45) CCNE1CDK2GSK3BCYP3A4SMN1; SMN2
SCHEMBL3129883 0.88 CCNE1 (0.42) CCNE1CDK2GSK3BSMN1; SMN2MAPK1
SCHEMBL3129863 0.88 CCNE1 (0.42) CCNE1CDK2GSK3BSMN1; SMN2MAPK1
SCHEMBL3129844 0.88 CCNE1 (0.42) CCNE1CDK2GSK3BSMN1; SMN2MAPK1
SCHEMBL3557896 0.86 ALDH1A1 (0.44) CDK2HPGDALDH1A1ADORA3
SCHEMBL3557894 0.86 ALDH1A1 (0.44) CDK2HPGDALDH1A1ADORA3
SCHEMBL3122439 0.85 CCNE1 (0.46) CCNE1CDK2GSK3BCYP3A4SMN1; SMN2
SCHEMBL3124163 0.85 CCNE1 (0.46) CCNE1CDK2GSK3BSMN1; SMN2MAPK1

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 4 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 claimed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 US claimed
EP-1689721-B1 AMINOPYRAZOLE DERIVATIVES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2010-07-14 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 (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 CCNE1 420/4885CDK2 58/4885GSK3B 1/4885

“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.