SCHEMBL19083206

SCHEMBL19083206

Nc1cccnc1OC=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
LMNA P02545 2/20 0.33
HSP90AB1 P08238 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
HIF1A Q16665 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
RRM1 P23921 1/20 0.33
RRM2 P31350 1/20 0.33
RRM2B Q7LG56 1/20 0.33
CISD1 Q9NZ45 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL15680074 0.80 RRM1 (0.36) KMT2AHSP90AA1NOS3NOS1NOS2
SCHEMBL14354842 0.76 ALDH1A1 (0.41) KMT2AHSP90AA1NOS3NOS1NOS2
SCHEMBL28020728 0.76 ERN1 (0.43) TRIM24TRIM33KMT2AHSP90AA1LMNA
SCHEMBL28032013 0.76 TRIM24 (0.42) TRIM24TRIM33LMNAALDH1A1RAB9A
SCHEMBL25898415 0.74
SCHEMBL27670976 0.73 KDM4E (0.43) KMT2ANOS3NOS1NOS2LMNA
SCHEMBL29536539 0.72
SCHEMBL235146 0.72
SCHEMBL10121812 0.72 LTA4H (0.49) TRIM24TRIM33KMT2ANOS3NOS1
SCHEMBL14480040 0.72 NFE2L2 (0.44) MAPTALDH1A1

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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 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-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 TRIM24 2796/4885TRIM33 2278/4885KMT2A 174/4885

“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.