SCHEMBL16627464

SCHEMBL16627464

COc1cn(-c2ccc(C)cc2F)nc(C(C)=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
P2RX7 Q99572 4/20 0.40
PDE10A Q9Y233 7/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
SCN5A Q14524 1/20 0.35
CSF1R P07333 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
SCHEMBL18399508 0.91 KMT2A (0.41) MEN1KMT2AP2RX7PDE10APOLB
SCHEMBL16627462 0.89 KMT2A (0.43) MEN1KMT2AP2RX7PDE10APOLB
SCHEMBL8372089 0.88 PDE10A (0.39) MEN1KMT2APDE10ANPC1RAB9A
SCHEMBL16627449 0.87 MEN1 (0.43) MEN1KMT2AP2RX7PDE10APOLB
SCHEMBL518962 0.87 PDE10A (0.39) MEN1KMT2APDE10ANPC1RAB9A
SCHEMBL16625711 0.85 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1CCR1CCR2
SCHEMBL519478 0.84 PDE10A (0.54) MEN1KMT2APDE10ANPC1RAB9A
SCHEMBL15195491 0.83 PDE10A (0.37) MEN1KMT2AP2RX7PDE10ANPC1
SCHEMBL518809 0.83 P2RX7 (0.41) P2RX7PDE10A
SCHEMBL519254 0.82 PDE10A (0.47) PDE10A

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
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MEN1 3211/4885KMT2A 1900/4885P2RX7 884/4885

“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.