SCHEMBL24958730

SCHEMBL24958730

CC(C)c1cc(-c2cnn(C)c2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ FYN P06241 5/20 0.38
▸ TTK P33981 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ AXL P30530 3/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 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
SCHEMBL24956534 0.81 SYK (0.35) AURKBTTKCREBBPPIK3CDPIK3CA
SCHEMBL16386822 0.73 DDB1 (0.42) —
SCHEMBL14263739 0.71 KMT2A (0.39) —
SCHEMBL11965496 0.70 HDAC6 (0.41) FYNMKNK1
SCHEMBL15980689 0.70 KDM5A (0.45) AURKAAURKBTTKINCENPKDM5B
SCHEMBL10022412 0.70 AURKA (0.40) AURKAAURKBTTKINCENPAXL
SCHEMBL15980641 0.70 NOS3 (0.43) CHEK1KDM5BPIM1LRRK2
SCHEMBL19531807 0.70 DYRK1A (0.43) AURKAAURKBTTKINCENPDYRK1A
SCHEMBL13086863 0.70 PIM1 (0.44) AURKAAURKBFYNCHEK1KDM5B
SCHEMBL16153730 0.70 KDM5B (0.42) CHEK1KDM5BPIM1DYRK1APIK3CD

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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — 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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 AURKA 4847/4885AURKB 4683/4885FYN 4075/4885

“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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