SCHEMBL24955665

SCHEMBL24955665

C#Cc1nc(N2C[C@H]3COC[C@H]3C2)c2cnn(CC3CC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.35
ADORA1 P30542 1/20 0.33
PIK3CA P42336 12/20 0.32
MTOR P42345 12/20 0.32
CNR2 P34972 5/20 0.32
ALDH1A2 O94788 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL24955660 0.87 MTOR (0.40) PIK3CAMTOR
SCHEMBL24954191 0.86 PIK3CA (0.33) ADORA2AADORA1PIK3CAMTORCNR2
SCHEMBL31106977 0.83 CNR2 (0.35) ADORA2AADORA1PIK3CAMTORCNR2
SCHEMBL24955764 0.83 CNR2 (0.35) ADORA2AADORA1PIK3CAMTORCNR2
SCHEMBL31106981 0.82 CNR2 (0.36) PIK3CAMTORCNR2
SCHEMBL24955674 0.82 CNR2 (0.36) PIK3CAMTORCNR2
SCHEMBL31106943 0.81 HRH1 (0.38) PIK3CAMTOR
SCHEMBL24955655 0.81 HRH1 (0.38) PIK3CAMTOR
SCHEMBL24955664 0.78 PIK3CA (0.40) PIK3CAMTOR
SCHEMBL31106993 0.78 PIK3CA (0.40) PIK3CAMTOR

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 2 patents. 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
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE SI, SLC10A2, NOS3 ADORA2A 4021/4885ADORA1 2488/4885PIK3CA 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.