SCHEMBL24967984

SCHEMBL24967984

O=C(Cc1cc(C(F)(F)F)c(=O)[nH]n1)NCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 14/20 0.61
POLB P06746 2/20 0.45
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
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
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL27233798 0.87 TIPARP (0.68) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL24968367 0.84 TIPARP (0.49) TIPARPPOLBALDH1A1MAPTMEN1
SCHEMBL24968202 0.83 TIPARP (0.77) TIPARPPARP1
SCHEMBL25222431 0.79 TIPARP (0.75) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL29031233 0.78 TIPARP (0.46) TIPARPPOLBALDH1A1MAPTMEN1
SCHEMBL24968364 0.78 TIPARP (0.74) TIPARPPARP1
SCHEMBL25220653 0.78 TIPARP (0.87) TIPARPPARP1PARP14PARP12TNKS2
SCHEMBL31410474 0.77 TIPARP (0.64) TIPARPPARP1TNKSPARP14PARP10
SCHEMBL24968378 0.76 POLB (0.44) TIPARPPOLBALDH1A1MAPTMEN1
SCHEMBL30165051 0.76 POLB (0.44) TIPARPPOLBALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 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 (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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 TIPARP 142/4885POLB 197/4885PARP1 6/4885

“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.