SCHEMBL12692509

SCHEMBL12692509

CCC(CC)Nc1nc(N)ncc1C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 6/20 0.53
▸ CRHR1 P34998 6/20 0.40
▸ KCNH2 Q12809 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 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
SCHEMBL23472269 0.87 NUDT1 (0.44) NUDT1CRHR1KCNH2JAK1L3MBTL1
SCHEMBL218367 0.85 NUDT1 (0.51) NUDT1JAK1L3MBTL1TLR8TLR7
SCHEMBL9885084 0.85 NUDT1 (0.51) NUDT1JAK1L3MBTL1TLR8TLR7
SCHEMBL250475 0.85 NUDT1 (0.51) NUDT1JAK1L3MBTL1TLR8TLR7
SCHEMBL217587 0.81 BCL6 (0.47) NUDT1CRHR1KCNH2JAK1L3MBTL1
SCHEMBL218483 0.81 BCL6 (0.47) NUDT1CRHR1
SCHEMBL9885018 0.81 NUDT1 (0.55) NUDT1L3MBTL1TLR8
SCHEMBL9884961 0.81 NUDT1 (0.55) NUDT1L3MBTL1TLR8
SCHEMBL20386651 0.81 KCNH2 (0.59) NUDT1KCNH2TLR8TLR7
SCHEMBL23472430 0.79 TLR8 (0.57) NUDT1KCNH2TLR8TLR7

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
CN-114341145-A Chemical compound 博拉公司 2022-04-12 — — CN disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 — — 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-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB NUDT1 791/4885CRHR1 4755/4885KCNH2 3855/4885

“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.

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