SCHEMBL13312581

SCHEMBL13312581

CCOC(=O)c1cc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2nc(C(F)(F)F)cc2C)cnc1OCCCS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AXL P30530 1/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
EGFR P00533 3/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 1/20 0.33
ITK Q08881 2/20 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
SCHEMBL3449657 0.97 NPSR1 (0.37) SIRT5NPSR1CDK2CDK9MAPT
SCHEMBL13312613 0.93 SYK (0.37) AXLSTIM1ORAI1SYK
SCHEMBL13312616 0.91 SCN9A (0.36) AXLSYKDAPK1
SCHEMBL3448167 0.89 SYK (0.40) SIRT5NPSR1MAPTKDM4EGAA
SCHEMBL13312611 0.89 SYK (0.37) AXLSTIM1ORAI1SYKDAPK1
SCHEMBL13312583 0.89 SIRT5 (0.39) SIRT5NPSR1CDK2CDK9MAPT
SCHEMBL13312579 0.89 SIRT5 (0.41) SIRT5NPSR1MAPTKDM4EGAA
Methane SCHEMBL3449659 0.86 NPSR1 (0.37) SIRT5NPSR1MAPTKDM4EGAA
SCHEMBL3450141 0.84 CNR2 (0.37) AXLTYRO3MERTKSTIM1ORAI1
SCHEMBL3373538 0.84 TYRO3 (0.39) CDK2MAPTAXLTYRO3MERTK

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD SIRT5 945/4885NPSR1 2715/4885CDK2 2258/4885

“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.