SCHEMBL29841862

SCHEMBL29841862

CCOC(=O)[C@H](F)COC[C@H](C)Nc1cnn(Cc2ccc(OC)cc2)c(=O)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 12/20 0.42
▸ MCHR1 Q99705 1/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ RAF1 P04049 3/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ IGF1R P08069 1/20 0.37
▸ MET P08581 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MTOR P42345 1/20 0.37

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
SCHEMBL26914998 1.00 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL26915003 1.00 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL29841850 0.92 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL29841823 0.92 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL23304574 0.92 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL23304575 0.92 NPBWR1 (0.42) NPBWR1MCHR1UCHL1RAF1CCNB2
SCHEMBL26914927 0.91 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL26914922 0.91 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL26914959 0.91 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24763736 0.88 NPBWR1 (0.42) NPBWR1MCHR1UCHL1TIPARP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 — — US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 — — EP disclosed
WO-2022166749-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海湃隆生物科技有限公司 2022-08-11 — — 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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 NPBWR1 796/4885MCHR1 4541/4885UCHL1 1754/4885

“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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