SCHEMBL22402418

SCHEMBL22402418

CC(C)(C)CCc1nc(C(C)(C)C)nc2cn[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.36
▸ SLC2A1 P11166 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL22402408 0.77 NUDT1 (0.33) NUDT1
SCHEMBL22402413 0.77 NUDT1 (0.36) NUDT1HTT
SCHEMBL22693062 0.75 HTT (0.41) SLC2A1HTTPTK2
SCHEMBL22402409 0.74 NUDT1 (0.39) NUDT1
SCHEMBL22402410 0.71 CDK2 (0.38) NUDT1
SCHEMBL22402415 0.65 SLC2A1 (0.33) NUDT1SLC2A1
SCHEMBL22402406 0.64 TRPV1 (0.41) NUDT1PTK2
SCHEMBL22941856 0.62 DYRK1A (0.36) SLC2A1HTTPTK2
SCHEMBL13660393 0.61 SMN1; SMN2 (0.38) HTT
SCHEMBL19661001 0.60 HTT (0.44) SLC2A1HTTPTK2

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-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2020-09-10 — — 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-20200283424-A1 GLP-1R AGONISTS AND USES THEREOF GLP1R, GPR119, GIPR NUDT1 3409/4885SLC2A1 168/4885HTT 3952/4885

“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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