SCHEMBL31106958

SCHEMBL31106958

Cn1ncc2c(N3C[C@H]4COC[C@H]4C3)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.46
GAA P10253 1/20 0.41
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KMT2A Q03164 4/20 0.40
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NSD2 O96028 1/20 0.35
PKM P14618 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
SCHEMBL24955621 1.00 PDE2A (0.46) PDE2AGAAHRH1HRH4KMT2A
SCHEMBL31106961 0.84 PIK3CA (0.42) PDE2AKMT2APIK3CAMTOR
SCHEMBL24955626 0.84 PIK3CA (0.42) PDE2AKMT2APIK3CAMTOR
SCHEMBL24955619 0.84 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL31106974 0.84 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL24955763 0.83 CNR2 (0.38) PIK3CAMTOR
SCHEMBL31106985 0.83 CNR2 (0.38) PIK3CAMTOR
SCHEMBL55448 0.82 PIK3CA (0.53) PDE2AGAAHRH1HRH4KMT2A
SCHEMBL31106943 0.81 HRH1 (0.38) HRH1HRH4KMT2APIK3CAMTOR
SCHEMBL24955655 0.81 HRH1 (0.38) HRH1HRH4KMT2APIK3CAMTOR

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 808/4885GAA 2088/4885HRH1 460/4885

“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.