SCHEMBL26915108

SCHEMBL26915108

COC(=O)CCOCC(C)Nc1cnn(Cc2ccc(OC)cc2)c(=O)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.44
▸ TIPARP Q7Z3E1 14/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ TNKS2 Q9H2K2 2/20 0.41
▸ PARP2 Q9UGN5 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PARP14 Q460N5 1/20 0.41
▸ PARP16 Q8N5Y8 1/20 0.41
▸ PARP12 Q9H0J9 1/20 0.41
▸ PARP11 Q9NR21 1/20 0.41
▸ PARP4 Q9UKK3 1/20 0.41
▸ PARP3 Q9Y6F1 1/20 0.41
▸ HDAC6 Q9UBN7 8/20 0.41
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
SCHEMBL24675519 1.00 NPBWR1 (0.44) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL24763736 0.93 NPBWR1 (0.42) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL24640392 0.93 NPBWR1 (0.44) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL21522522 0.93 NPBWR1 (0.44) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL21522519 0.93 NPBWR1 (0.44) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL24763905 0.91 NPBWR1 (0.44) NPBWR1TIPARPPARP2MCHR1
SCHEMBL29153679 0.89 NPBWR1 (0.45) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL29153680 0.89 NPBWR1 (0.45) NPBWR1TIPARPPARP1TNKS2PARP2
SCHEMBL24675534 0.88 NPBWR1 (0.42) NPBWR1TIPARPHDAC6HDAC1MCHR1
SCHEMBL24687640 0.88 NPBWR1 (0.51) NPBWR1MCHR1

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 6 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
CN-117083274-A Fused ring heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-11-17 — — CN disclosed
CN-116724044-A Tri-heterocyclic compound, preparation method and application thereof 上海湃隆生物科技有限公司 2023-09-08 — — CN disclosed
CN-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 — — CN disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — 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 796/4885TIPARP 23/4885PARP1 14/4885

“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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