SCHEMBL26326285

SCHEMBL26326285

Cn1c(Cl)cc2c(C=O)c([N+](=O)[O-])cnc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
POLB P06746 4/20 0.36
MAPT P10636 3/20 0.36
VCAM1 P19320 4/20 0.35
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ERN1 O75460 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PIN1 Q13526 2/20 0.33
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL26326281 0.89 MAPT (0.37) NPC1POLBMAPTVCAM1KDM4E
SCHEMBL26083445 0.84 NPC1 (0.39) NPC1POLBMAPTVCAM1KDM4E
SCHEMBL26326295 0.82 NPC1 (0.40) NPC1POLBMAPTVCAM1KDM4E
SCHEMBL26326280 0.78 HPGD (0.34) POLBMAPTHTTLMNAHPGD
SCHEMBL25475022 0.74 GAA (0.42) POLBLMNAL3MBTL1ERN1ALDH1A1
SCHEMBL26326258 0.73 MAPT (0.37) POLBMAPTKDM4EHTTLMNA
SCHEMBL26326300 0.72 MAPT (0.43) NPC1POLBMAPTVCAM1KDM4E
SCHEMBL25474987 0.70 NPC1 (0.35) NPC1POLBMAPTVCAM1KDM4E
SCHEMBL29206027 0.68 LMNA (0.37) NPC1POLBMAPTKDM4EHTT
SCHEMBL30846791 0.68 LMNA (0.37) NPC1POLBMAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-09-26 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-11767323-B2 Tricyclic pyridone compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 NPC1 4805/4885POLB 828/4885MAPT 4580/4885

“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.