SCHEMBL3133412

SCHEMBL3133412

O=C(NCc1ccccc1F)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)[nH]n2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
NPC1 O15118 8/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
POLB P06746 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.38
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 3/20 0.36
MAPK1 P28482 1/20 0.36
ELOVL1 Q9BW60 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3121250 1.00 PKM (0.43) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3121238 1.00 PKM (0.43) PKMNPC1RAB9ASMN1; SMN2POLB
SCHEMBL3122474 0.91 PKM (0.56) PKMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3122481 0.91 PKM (0.56) PKMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3136134 0.91 PKM (0.56) PKMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3125263 0.90 PTGES (0.43) PKMNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL3125266 0.90 PTGES (0.43) PKMNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL3125272 0.90 PTGES (0.43) PKMNPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL3122362 0.89 HPGD (0.49) PKMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3122380 0.89 HPGD (0.49) PKMNPC1RAB9ASMN1; SMN2ALDH1A1

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 1208/4885NPC1 2332/4885RAB9A 3678/4885

“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.