SCHEMBL31106943

SCHEMBL31106943

C#Cc1nc(N2C[C@H]3COC[C@H]3C2)c2cnn(C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
NSD2 O96028 1/20 0.33
PKM P14618 1/20 0.33
EIF2AK2 P19525 1/20 0.33
BCDIN3D Q7Z5W3 2/20 0.33
PDE10A Q9Y233 1/20 0.32
POLB P06746 1/20 0.32
HTR2C P28335 2/20 0.31
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAP3K12 Q12852 1/20 0.30

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
SCHEMBL24955655 1.00 HRH1 (0.38) HRH1HRH4PIK3CAMTORKMT2A
SCHEMBL31106947 0.86 HRH1 (0.37) HRH1HRH4PIK3CAMTORKMT2A
SCHEMBL24954190 0.86 HRH1 (0.37) HRH1HRH4PIK3CAMTORKMT2A
SCHEMBL31106993 0.85 PIK3CA (0.40) PIK3CAMTORKMT2A
SCHEMBL24955660 0.85 MTOR (0.40) PIK3CAMTOR
SCHEMBL24955664 0.85 PIK3CA (0.40) PIK3CAMTORKMT2A
SCHEMBL24955674 0.84 CNR2 (0.36) PIK3CAMTOR
SCHEMBL31106981 0.84 CNR2 (0.36) PIK3CAMTOR
SCHEMBL24956779 0.81 KMT2A (0.58) HRH1HRH4PIK3CAMTORKMT2A
SCHEMBL24955621 0.81 PDE2A (0.46) HRH1HRH4PIK3CAMTORKMT2A

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 HRH1 460/4885HRH4 202/4885PIK3CA 2011/4885

“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.