SCHEMBL24968405

SCHEMBL24968405

COc1ncc(CCN)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 2/20 0.38
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
TAAR1 Q96RJ0 6/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
S1PR1 P21453 1/20 0.34

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
SCHEMBL30851263 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BAURKAKDR
SCHEMBL24968228 0.84 AURKA (0.37) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL30851115 0.84 AURKA (0.37) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL21031170 0.82 AURKA (0.40) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL24968232 0.82 ATM (0.40) AURKAKDRAURKBATMTAAR1
SCHEMBL30851096 0.82 ATM (0.40) AURKAKDRAURKBATMTAAR1
SCHEMBL932942 0.81 AURKA (0.39) AURKAKDRAURKBPIK3R1PIK3CA
SCHEMBL29208803 0.81 AURKA (0.39) AURKAKDRAURKBPIK3R1PIK3CA
SCHEMBL27233788 0.81 AURKA (0.39) HTR2AHTR2CAURKAKDRAURKB
SCHEMBL29165939 0.79 PIK3R1 (0.36) AURKAKDRAURKBKDM4EPIK3R1

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 HTR2A 3863/4885HTR2C 3458/4885HTR2B 1812/4885

“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.