SCHEMBL27434530

SCHEMBL27434530

O=C(c1cccc(Cc2cccc3c(=O)[nH]ncc23)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 2/20 0.68
▸ PARP1 P09874 18/20 0.59
▸ PARP2 Q9UGN5 2/20 0.47
▸ PARP3 Q9Y6F1 2/20 0.47
▸ TNKS O95271 1/20 0.46
▸ PARP6 Q2NL67 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL27434643 0.88 TIPARP (0.55) TIPARPPARP1
SCHEMBL27434535 0.84 PARP1 (0.72) PARP1
SCHEMBL27434490 0.81 PARP1 (0.67) TIPARPPARP1PARP2PARP3TNKS
SCHEMBL25270477 0.81 TIPARP (1.00) TIPARPPARP1
SCHEMBL27434532 0.80 PARP1 (0.58) PARP1PARP2PARP3TNKSPARP6
SCHEMBL29987574 0.79 PARP1 (0.55) TIPARPPARP1PARP2PARP3TNKS
SCHEMBL27077681 0.79 PARP1 (0.55) TIPARPPARP1PARP2PARP3TNKS
SCHEMBL30165098 0.79 TIPARP (0.75) TIPARPPARP1
SCHEMBL24968300 0.79 TIPARP (0.75) TIPARPPARP1
SCHEMBL27446352 0.79 TIPARP (0.60) TIPARPPARP1

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-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 — — US disclosed
US-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 — — 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX TIPARP 4717/4885PARP1 1174/4885PARP2 1923/4885

“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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