SCHEMBL17810271

SCHEMBL17810271

C[Si](C)(C)CCOCn1cc(I)nc1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.42
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE10A Q9Y233 4/20 0.35
BRD4 O60885 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL16534722 0.85 DGAT1 (0.40) DGAT1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17810227 0.83 DGAT1 (0.42) DGAT1CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16534784 0.82 DGAT1 (0.40) DGAT1PDE10ABRD4NPC1SMN1; SMN2
SCHEMBL16535104 0.81 DGAT1 (0.39) DGAT1PDE10ASMN1; SMN2
SCHEMBL30999909 0.81 DGAT1 (0.48) DGAT1BRD4NPC1
SCHEMBL2900454 0.79 KDM4E (0.37) DGAT1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17810228 0.78 KDM4E (0.37) DGAT1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17810226 0.78 KDM4E (0.37) DGAT1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17810272 0.77 DGAT1 (0.48) DGAT1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL17810346 0.77 CYP1A2 (0.35) DGAT1CYP1A2CYP2D6CYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227295-B1 6,7-DIHYDROPYRAZOLO[1,5- ]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-20 EP disclosed
US-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN-CILAG, S.A. (ES) 2017-12-28 US disclosed
WO-2016087487-A1 6,7-DIHYDROPYRAZOLO[1,5-α]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-06-09 WO 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-20170369493-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 DGAT1 1716/4885CYP1A2 2901/4885CYP2D6 2658/4885

“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.