SCHEMBL30165090

SCHEMBL30165090

COc1ncc(CCNC(=O)N2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.50
CHRM1 P11229 5/20 0.50
TIPARP Q7Z3E1 6/20 0.43
RBP4 P02753 1/20 0.42
NPC1 O15118 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CHRM4 P08173 2/20 0.40
CHRM3 P20309 2/20 0.39
ALK Q9UM73 1/20 0.39

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
SCHEMBL24968407 1.00 CHRM2 (0.50) CHRM2CHRM1TIPARPRBP4NPC1
SCHEMBL24968870 0.84 TIPARP (0.57) TIPARPPPARGPPARDPPARAKDM4E
SCHEMBL24968920 0.84 MEN1 (0.46) TIPARPPPARGPPARDPPARAKDM4E
SCHEMBL24967919 0.81 POLB (0.42) CHRM2CHRM1TIPARPPPARGPPARD
SCHEMBL27233860 0.80 PPARG (0.45) TIPARPPPARGPPARDPPARALMNA
SCHEMBL24968401 0.80 TIPARP (0.52) CHRM2CHRM1TIPARPCHRM4CHRM3
SCHEMBL30165051 0.80 POLB (0.44) CHRM2CHRM1TIPARPPPARGPPARD
SCHEMBL24968378 0.80 POLB (0.44) CHRM2CHRM1TIPARPPPARGPPARD
SCHEMBL29208711 0.77 TIPARP (0.41) CHRM2CHRM1TIPARPRBP4PPARG
SCHEMBL27233708 0.76 TIPARP (0.51) TIPARP

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 4 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

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 CHRM2 4881/4885CHRM1 4884/4885TIPARP 142/4885

“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.