SCHEMBL31106957

SCHEMBL31106957

Cn1ncc2c(Cl)nc(C#C[Si](C)(C)C)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.41
KMT2A Q03164 6/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 4/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32

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
SCHEMBL24954148 1.00 PDE2A (0.41) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL20240254 0.80 PDE2A (0.44) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL31106980 0.80 PDE2A (0.44) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL24954188 0.80 PDE2A (0.44) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL24956772 0.74 MEN1 (0.55) KMT2AMAPTALDH1A1MEN1HTR2C
SCHEMBL55774 0.73 PDE2A (0.64) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL18343699 0.72 PDE2A (0.49) PDE2AKMT2AKDM4EMAPTALDH1A1
SCHEMBL24954190 0.72 HRH1 (0.37) KMT2AMEN1HRH1HRH4
SCHEMBL31106947 0.72 HRH1 (0.37) KMT2AMEN1HRH1HRH4
SCHEMBL30202238 0.72 HRH1 (0.37) KMT2AMEN1HRH1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2024-10-17 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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE SI, SLC10A2, NOS3 PDE2A 808/4885KMT2A 4007/4885KDM4E 3494/4885

“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.