SCHEMBL25699730

SCHEMBL25699730

CC(C)(C)OC(=O)NCCC(O[Si](C)(C)C(C)(C)C)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 14/20 0.42
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
PARP12 Q9H0J9 3/20 0.38
TNKS2 Q9H2K2 3/20 0.38
PARP2 Q9UGN5 3/20 0.38
TNKS O95271 2/20 0.38
PARP10 Q53GL7 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
PARP14 Q460N5 2/20 0.37
PARP11 Q9NR21 2/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
PARP1 P09874 1/20 0.37
CYP2C9 P11712 1/20 0.37
PARP16 Q8N5Y8 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
HPGD P15428 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
SCHEMBL30390013 1.00 TIPARP (0.42) TIPARPCHRM2CHRM1PARP12TNKS2
SCHEMBL30390426 1.00 TIPARP (0.42) TIPARPCHRM2CHRM1PARP12TNKS2
SCHEMBL25271657 0.90 TIPARP (0.44) TIPARPCHRM2CHRM1PARP12TNKS2
SCHEMBL25268549 0.90 TIPARP (0.44) TIPARPCHRM2CHRM1PARP12TNKS2
SCHEMBL25268548 0.90 TIPARP (0.44) TIPARPCHRM2CHRM1PARP12TNKS2
SCHEMBL25699748 0.85 TIPARP (0.56) TIPARPCHRM2CHRM1PARP12TNKS2
SCHEMBL29271189 0.82 TIPARP (0.41) TIPARPPARP12TNKS2PARP2TNKS
SCHEMBL29271188 0.82 TIPARP (0.41) TIPARPPARP12TNKS2PARP2TNKS
SCHEMBL29271192 0.81 TIPARP (0.43) TIPARPPARP12TNKS2PARP2TNKS
SCHEMBL29271193 0.81 TIPARP (0.43) TIPARPPARP12TNKS2PARP2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139858-A Pyrazin-3 (2H) -one derivatives 吉利德科学公司 2024-06-04 CN disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed
WO-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 WO disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 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 (2 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-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 TIPARP 3901/4885CHRM2 2264/4885CHRM1 3560/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 TIPARP 3487/4885CHRM2 2493/4885CHRM1 1130/4885

“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.