SCHEMBL31106986

SCHEMBL31106986

Cn1cc(-c2ccccc2)nc1C#Cc1nc(Cl)c2cnn(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.43
KMT2A Q03164 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR2 O95136 1/20 0.33
PDE2A O00408 2/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ATAD2 Q6PL18 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
SCHEMBL24955834 0.80 MEN1 (0.43) PDE10AKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL31106982 0.79 PDE10A (0.44) PDE10A
SCHEMBL24956758 0.78 PDE10A (0.38) PDE10AKMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL30202159 0.78 PDE10A (0.37) PDE10AATAD2BCDIN3D
SCHEMBL30202075 0.78 PDE10A (0.37) PDE10ASMN1; SMN2ATAD2BCDIN3D
SCHEMBL14844904 0.72 PDE10A (0.51) PDE10ACYP1A2MAPTKDM4EALDH1A1
SCHEMBL14843067 0.70 PDE10A (0.46) PDE10AKMT2AKDM4EALDH1A1HPGD
SCHEMBL24954148 0.70 PDE2A (0.41) KMT2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL31106957 0.70 PDE2A (0.41) KMT2ACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2044926 0.69 PDE10A (0.59) PDE10A

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 PDE10A 733/4885KMT2A 4007/4885CYP1A2 161/4885

“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.