SCHEMBL27434851

SCHEMBL27434851

CC(COCCc1cccc2c(=O)[nH]ncc12)C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 19/20 0.52
▸ PARP14 Q460N5 2/20 0.52
▸ PARP12 Q9H0J9 2/20 0.52
▸ TNKS2 Q9H2K2 2/20 0.52
▸ PARP11 Q9NR21 2/20 0.52
▸ PARP2 Q9UGN5 2/20 0.52
▸ PARP1 P09874 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ PARP16 Q8N5Y8 1/20 0.52
▸ PARP4 Q9UKK3 1/20 0.52
▸ PARP3 Q9Y6F1 1/20 0.52
▸ TNKS O95271 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL27434496 0.85 TIPARP (0.58) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27434769 0.81 TIPARP (0.53) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27434754 0.80 TIPARP (0.53) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27077694 0.80 TIPARP (0.65) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27434934 0.79 TIPARP (0.50) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27434667 0.79 TIPARP (0.44) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27077731 0.78 TIPARP (0.67) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27434708 0.78 TIPARP (0.53) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27434665 0.78 TIPARP (0.44) TIPARPPARP14PARP12TNKS2PARP11
SCHEMBL27077777 0.78 TIPARP (0.56) TIPARPPARP14PARP12TNKS2PARP11

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 4717/4885PARP14 1083/4885PARP12 976/4885

“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.

Send feedback