SCHEMBL25225065

SCHEMBL25225065

N[C@H]1CCC[C@@H](C(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ TIPARP Q7Z3E1 9/20 0.46
▸ TNKS O95271 2/20 0.44
▸ PARP10 Q53GL7 2/20 0.44
▸ PARP12 Q9H0J9 2/20 0.44
▸ TNKS2 Q9H2K2 2/20 0.44
▸ PARP2 Q9UGN5 2/20 0.44
▸ PARP14 Q460N5 1/20 0.44
▸ PARP11 Q9NR21 1/20 0.44
▸ PARP1 P09874 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ SLC6A9 P48067 3/20 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
Hydrochloric Acid SCHEMBL31381862 0.99 POLB (0.48) POLBTIPARPTNKSPARP10PARP12
SCHEMBL31381837 0.89 TIPARP (0.50) POLBTIPARPTNKSPARP10PARP12
Hydrochloric Acid SCHEMBL31381958 0.88 TIPARP (0.49) POLBTIPARPTNKSPARP10PARP12
Hydrochloric Acid SCHEMBL31381926 0.84 LMNA (0.47) POLBTIPARPTNKSPARP10PARP12
SCHEMBL25273241 0.79 CAMK1D (0.46) TIPARPCHRM2CHRM1
SCHEMBL25273240 0.79 CAMK1D (0.46) TIPARPCHRM2CHRM1
SCHEMBL26103543 0.79 CAMK1D (0.46) TIPARPCHRM2CHRM1
SCHEMBL25218543 0.78 BTK (0.48) POLBTIPARPTNKSPARP10PARP12
Hydrochloric Acid SCHEMBL31381938 0.78 CCR4 (0.46) POLBTIPARPTNKSPARP10PARP12
Hydrochloric Acid SCHEMBL31381941 0.78 CCR4 (0.46) POLBTIPARPTNKSPARP10PARP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2025-05-22 — — US disclosed
EP-4423078-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2024-09-04 — — EP disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US disclosed
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 — — US 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
WO-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 — — 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 (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-20250163030-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 POLB 1716/4885TIPARP 3487/4885TNKS 237/4885
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 POLB 1716/4885TIPARP 3487/4885TNKS 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.

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