SCHEMBL13697273

SCHEMBL13697273

CC(=O)c1nccnc1C(F)F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL15145687 0.83 ADORA3 (0.36) ALDH1A1LMNA
SCHEMBL630795 0.81 KDM4E (0.42) ALDH1A1
SCHEMBL30575282 0.81 KDM4E (0.42) ALDH1A1
SCHEMBL277948 0.79 PDE3B (0.45) PDE3BPDE3AALDH1A1NPC1RAB9A
SCHEMBL28285903 0.79 YTHDC1 (0.33) ALDH1A1NPC1RAB9ALMNA
SCHEMBL20839005 0.74 MAPT (0.46) ALDH1A1NPC1
SCHEMBL23602966 0.71 PDE3B (0.38) PDE3BPDE3AALDH1A1NPC1RAB9A
SCHEMBL3701660 0.71 PDE3B (0.38) PDE3BPDE3AALDH1A1NPC1RAB9A
SCHEMBL29434463 0.71 PDE3B (0.38) PDE3BPDE3AALDH1A1NPC1RAB9A
SCHEMBL17249596 0.71 NAPRT (0.43) ALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171697-A1 PRODUCTION METHOD FOR FLUORINE-CONTAINING COMPOUND AGC株式会社 2023-09-14 WO disclosed
WO-2023171697-A1 PRODUCTION METHOD FOR FLUORINE-CONTAINING COMPOUND AGC株式会社 2023-09-14 WO disclosed
US-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same NIHON NOHYAKU CO., LTD. (JP) 2009-09-17 US 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-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same CBR3, CNPY2, AADAC PDE3B 3947/4885PDE3A 3440/4885ALDH1A1 3219/4885

“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.