SCHEMBL3127315

SCHEMBL3127315

O=C(NCc1ccccc1Cl)O[C@H]1C[C@@H](c2cc(NC(=O)C3CCOCC3)[nH]n2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
MAPK1 P28482 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 3/20 0.37
CCNE1 P24864 6/20 0.37
CDK2 P24941 6/20 0.37
P2RX7 Q99572 2/20 0.36
GSK3B P49841 3/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE2A O00408 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3127326 1.00 PKM (0.40) PKMMAPK1HPGDALDH1A1CCNE1
SCHEMBL3121408 0.90 BCHE (0.39) MAPK1HPGDALDH1A1CCNE1CDK2
SCHEMBL3121405 0.90 BCHE (0.39) MAPK1HPGDALDH1A1CCNE1CDK2
SCHEMBL3136134 0.87 PKM (0.56) PKMHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL3122474 0.87 PKM (0.56) PKMHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL3122481 0.87 PKM (0.56) PKMHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL3133079 0.86 MAPK1 (0.39) MAPK1CCNE1CDK2P2RX7KMT2A
SCHEMBL3133083 0.86 MAPK1 (0.39) MAPK1CCNE1CDK2P2RX7KMT2A
SCHEMBL3557894 0.80 ALDH1A1 (0.44) HPGDALDH1A1CDK2
SCHEMBL3557896 0.80 ALDH1A1 (0.44) HPGDALDH1A1CDK2

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 PKM 1208/4885MAPK1 1138/4885HPGD 2875/4885

“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.