SCHEMBL25698183

SCHEMBL25698183

O=C([C@@H]1CCCN1c1cc(C(F)(F)F)c(=O)[nH]n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 17/20 0.73
PARP1 P09874 2/20 0.43
TNKS O95271 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP12 Q9H0J9 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
LCAT P04180 1/20 0.40

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
SCHEMBL25270498 0.97 TIPARP (0.73) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25221394 0.97 TIPARP (0.73) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25220590 0.94 TIPARP (0.67) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL25697894 0.89 TIPARP (0.62) TIPARPPARP1LCAT
SCHEMBL25697600 0.87 TIPARP (0.60) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL24738980 0.86 TIPARP (0.84) TIPARPPARP1
SCHEMBL24739237 0.85 TIPARP (0.61) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL24739049 0.84 TIPARP (1.00) TIPARP
SCHEMBL24739458 0.84 TIPARP (1.00) TIPARP
SCHEMBL25272747 0.84 TIPARP (1.00) TIPARP

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-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 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-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 TIPARP 3487/4885PARP1 220/4885TNKS 237/4885

“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.