SCHEMBL13227635

SCHEMBL13227635

Cc1ncc(-c2ccccc2F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 7/20 0.47
ALOX5AP P20292 5/20 0.47
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
TRPA1 O75762 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL9942304 0.84 FEN1 (0.44) FEN1ALOX5APNPC1L3MBTL1HDAC3
SCHEMBL8446334 0.80 PTGS2 (0.50) FEN1ALOX5APNPC1L3MBTL1TRPA1
SCHEMBL3010688 0.79 FEN1 (0.71) FEN1ALOX5AP
SCHEMBL30776664 0.79 FEN1 (0.47) FEN1ALOX5APNPC1L3MBTL1CASP3
SCHEMBL17436090 0.79 FEN1 (0.47) FEN1ALOX5APNPC1L3MBTL1CASP3
SCHEMBL13209286 0.79 FEN1 (0.44) FEN1ALOX5APNPC1L3MBTL1CASP3
SCHEMBL15047761 0.78 LCK (0.45) FEN1ALOX5APNPC1CASP3SENP8
SCHEMBL17367711 0.77 FEN1 (0.85) FEN1ALOX5AP
SCHEMBL26951542 0.76 MAOA (0.46) FEN1ALOX5AP
SCHEMBL8289011 0.75 IDO1 (0.40) FEN1ALOX5APNPC1L3MBTL1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116824-A1 PYRIDAZINONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 中国药科大学 2023-06-29 WO disclosed
US-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders GLAXO GROUP LIMITED 2010-08-05 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-20100197699-A1 I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders NPY5R, NPY1R, NPY4R FEN1 3985/4885ALOX5AP 355/4885NPC1 1881/4885

“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.