SCHEMBL3524487

SCHEMBL3524487

CC(C)C(=O)NCC#Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
HTR2A P28223 1/20 0.49
FFAR1 O14842 1/20 0.46
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
SOST Q9BQB4 1/20 0.44
MAOB P27338 1/20 0.44
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL10769887 0.86 HTR2A (0.54) SIGMAR1LMNAKMT2ACYP2C9CYP2C19
SCHEMBL10421314 0.86 HTR2A (0.54) SIGMAR1LMNAKMT2ACYP2C9CYP2C19
SCHEMBL25517308 0.82 ACACB (0.48) SIGMAR1LMNACYP2C9HTR2ASOST
SCHEMBL23451040 0.81 ACACB (0.53) KMT2ACYP2C9CYP2C19CYP2D6FFAR1
SCHEMBL25542628 0.81 SIGMAR1 (0.44) SIGMAR1KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL26161774 0.78 CYP2D6 (0.50) SIGMAR1KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL23442359 0.78 CYP2D6 (0.44) SIGMAR1KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL10421320 0.78 LMNA (0.42) SIGMAR1LMNAKMT2AHTR2AFFAR1
SCHEMBL10421315 0.76 CYP1A2 (0.48) SIGMAR1LMNAKMT2ACYP2C9CYP2C19
SCHEMBL10769885 0.76 SIGMAR1 (0.53) SIGMAR1LMNAKMT2ACYP2C9CYP2C19

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-7709473-B2 Substituted 2H-[1,2,4]triazolo[4,3-a]pyrazines as GSK-3 inhibitors PFIZER INC. (US) 2010-05-04 US disclosed
US-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors BENBOW JOHN W 2007-10-25 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-20070249612-A1 Substituted 2H-[1,2,4]Triazolo[4,3-A]Pyrazines as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP SIGMAR1 1017/4885LMNA 2096/4885KMT2A 822/4885

“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.