SCHEMBL9943519

SCHEMBL9943519

CCOC(=O)c1ncncc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HDAC4 P56524 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
SCHEMBL31728981 0.83 CYP2C9 (0.44) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL12018710 0.81 GAA (0.40) MAPTALDH1A1TP53MAPK1HSD17B10
SCHEMBL27152062 0.81 CYP2C9 (0.42) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL7844021 0.81 TSHR (0.47) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL11528806 0.80 NPC1 (0.55) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL11536944 0.80 GABRG2 (0.42) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL4716130 0.80 ALDH1A1 (0.44) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL11528761 0.78 ALDH1A1 (0.40) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL31728853 0.78 NPC1 (0.40) CYP2C9CYP2C19MAPTNPC1NPSR1
SCHEMBL20399682 0.77 JMJD6 (0.43) CYP2C9CYP2C19MAPTNPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 US disclosed
US-8940738-B2 Pyrimidone compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-01-27 US disclosed
US-20120220591-A1 PYRIMIDONE COMPOUNDS SANOFI (FR) 2012-08-30 US disclosed
EP-2464639-A1 PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Tanabe Pharma Corporation (JP) 2012-06-20 EP 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-20120220591-A1 PYRIMIDONE COMPOUNDS MAPT, PRNP, PSEN1 CYP2C9 4079/4885CYP2C19 2137/4885MAPT 1/4885

“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.