SCHEMBL24968232

SCHEMBL24968232

CNCCc1cnc(OC)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
POLB P06746 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
AURKA O14965 2/20 0.39
KDR P35968 2/20 0.39
AURKB Q96GD4 2/20 0.39
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
CFTR P13569 3/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL30851096 1.00 ATM (0.40) ATMPOLBCHRM2CHRM1CHRM3
SCHEMBL24968405 0.82 HTR2A (0.45) ATMAURKAKDRAURKBPIK3R1
SCHEMBL30851263 0.82 HTR2A (0.45) ATMAURKAKDRAURKBPIK3R1
SCHEMBL24968228 0.82 AURKA (0.37) AURKAKDRAURKBPIK3R1PIK3CA
SCHEMBL30851115 0.82 AURKA (0.37) AURKAKDRAURKBPIK3R1PIK3CA
SCHEMBL21031170 0.80 AURKA (0.40) AURKAKDRAURKBPIK3R1PIK3CA
SCHEMBL932942 0.78 AURKA (0.39) POLBAURKAKDRAURKBPIK3R1
SCHEMBL29208803 0.78 AURKA (0.39) POLBAURKAKDRAURKBPIK3R1
SCHEMBL27233788 0.78 AURKA (0.39) AURKAKDRAURKBPIK3R1PIK3CA
SCHEMBL24968406 0.76 AURKA (0.34) AURKAKDRAURKBPIK3R1PIK3CA

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 ATM 128/4885POLB 197/4885CHRM2 4881/4885

“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.