SCHEMBL25626041

SCHEMBL25626041

CCC(=O)Nc1nc2[nH]ccc2cc1C(C)(C)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.35
▸ TGFBR2 P37173 1/20 0.35
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ MAOA P21397 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CDK8 P49336 4/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL25625109 0.90 ADORA3 (0.36) TGFBR1TGFBR2ADORA3ADORA2AADORA2B
SCHEMBL25626042 0.87 RIPK1 (0.35) MAOACDK8
SCHEMBL25625108 0.74 PIK3C3 (0.43) TGFBR1TGFBR2MAOAKDM4EMAPT
SCHEMBL25625191 0.73 RIPK1 (0.38) MAOACDK8
SCHEMBL25625190 0.72 CDK8 (0.37) TGFBR1TGFBR2HTTCDK8KMT2A
SCHEMBL25625189 0.72 GSK3A (0.46) KDM4E
SCHEMBL15753475 0.66 GRM5 (0.45) TGFBR1TGFBR2ADORA3ADORA2AADORA2B
SCHEMBL25625104 0.65 ULK1 (0.45) CDK8
SCHEMBL25613034 0.65 FEN1 (0.37) KDM4EHSD17B10CDK8NPC1RAB9A
SCHEMBL19367958 0.64 FEN1 (0.36) ADORA2AADORA1CDK8

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 TGFBR1 4395/4885TGFBR2 2016/4885ADORA3 4822/4885

“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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