SCHEMBL30729634

SCHEMBL30729634

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3N(CCO)C(=O)[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 7/20 0.45
MDM2 Q00987 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
GPR119 Q8TDV5 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CBLB Q13191 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL26959307 1.00 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL30729645 0.93 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29088864 0.93 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29088955 0.90 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL30729636 0.90 TIPARP (0.45) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29274209 0.89 TIPARP (0.44) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL24640746 0.88 TIPARP (0.53) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29841924 0.88 TIPARP (0.53) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL29841826 0.88 TIPARP (0.53) TIPARPMDM2MEN1KMT2AHDAC6
SCHEMBL26959402 0.88 TIPARP (0.53) TIPARPMDM2MEN1KMT2AHDAC6

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 2 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

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 TIPARP 23/4885MDM2 1229/4885MEN1 1150/4885

“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.