SCHEMBL8008310

SCHEMBL8008310

CC(C)c1nc2ccccc2nc1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.57
MAPK10 P53779 2/20 0.57
ADORA2A P29274 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL24702664 0.86 TDP1 (0.56) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL1102422 0.85 TDP1 (0.55) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL29405271 0.81 MAPK14 (0.81) MAPK14MAPK10ADORA2ATDP1L3MBTL1
SCHEMBL71619 0.81 MAPK14 (0.81) MAPK14MAPK10ADORA2ATDP1L3MBTL1
SCHEMBL8020858 0.81 MAPK14 (0.54) MAPK14MAPK10TDP1KDM4EALDH1A1
SCHEMBL23776022 0.81 SRC (0.42) MAPK14MAPK10ADORA2ATDP1L3MBTL1
SCHEMBL13787414 0.80 KDM4E (0.68) ADORA2ATDP1L3MBTL1KDM4ELMNA
SCHEMBL13787410 0.80 AKT1 (0.51) ADORA2ATDP1L3MBTL1KDM4ELMNA
SCHEMBL714455 0.79 TDP1 (0.41) MAPK14MAPK10TDP1L3MBTL1KDM4E
SCHEMBL29767839 0.79 MAPK14 (0.78) MAPK14MAPK10ADORA2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962551-B2 Quinoxalinyl derivatives ENANTA PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009073719-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 MAPK14 3221/4885MAPK10 3496/4885ADORA2A 2627/4885

“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.