SCHEMBL24968334

SCHEMBL24968334

O=C(O)CCOCCn1ccc2c(=O)[nH]ncc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
KMO O15229 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
FABP4 P15090 3/20 0.32
FABP5 Q01469 3/20 0.32
JAK2 O60674 1/20 0.32
FABP3 P05413 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK1 Q13464 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL24968820 0.80 PARP1 (0.39) PARP1KMOMAPTFABP4FABP5
SCHEMBL27077788 0.79 PDE4B (0.38) KMOPOLBFABP4FABP5FABP3
SCHEMBL24968155 0.77 POLB (0.34) PARP1POLBCYP2C9
SCHEMBL27233771 0.77 POLB (0.34) PARP1POLBCYP2C9
SCHEMBL24968305 0.75 TIPARP (0.57) PARP1CYP2C9
SCHEMBL27077639 0.74 PDE5A (0.33) PARP1KMOCYP2C9
SCHEMBL27233790 0.71 NPC1 (0.35) PARP1KMOPOLBHSD17B10KDM4E
SCHEMBL27077772 0.70 ALDH1A1 (0.42) POLBMAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL29165889 0.70 DYRK1A (0.36) TBXAS1
SCHEMBL27077645 0.69 PARP1 (0.47) PARP1POLBHSD17B10TDP1KDM4E

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 8 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
US-20240217968-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-07-04 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
EP-4313300-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-02-07 EP 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
WO-2022207752-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2022-10-06 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-20240217968-A1 PHARMACEUTICAL COMPOUND F11, F12, ZYX PARP1 1174/4885KMO 2598/4885POLB 3158/4885
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 PARP1 6/4885KMO 3027/4885POLB 197/4885

“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.