SCHEMBL13787411

SCHEMBL13787411

CC(C)c1nc2ccccc2nc1-c1cccn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RECQL P46063 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.37
▸ CASP1 P29466 3/20 0.36
▸ CASP7 P55210 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL8011227 0.78 KDM4E (0.54) KDM4EALDH1A1GAANPC1RECQL
SCHEMBL13150847 0.72 MAPT (0.53) KDM4EALDH1A1GAANPC1HSD17B10
SCHEMBL1102422 0.72 TDP1 (0.55) KDM4EALDH1A1GAANPSR1HSD17B10
SCHEMBL24702664 0.69 TDP1 (0.56) KDM4EALDH1A1GAANPSR1LMNA
SCHEMBL16263093 0.68 NPC1 (0.53) KDM4EALDH1A1GAANPC1RECQL
SCHEMBL8020858 0.68 MAPK14 (0.54) KDM4EALDH1A1NPC1MEN1KMT2A
SCHEMBL23776022 0.68 SRC (0.42) KDM4EALDH1A1NPSR1HSD17B10LMNA
SCHEMBL13787413 0.67 KDM4E (0.54) KDM4EALDH1A1GAANPC1HSD17B10
SCHEMBL8008310 0.67 MAPK14 (0.57) KDM4EALDH1A1GAANPSR1LMNA
SCHEMBL714455 0.67 TDP1 (0.41) KDM4EALDH1A1GAANPC1RECQL

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
US-20090180981-A1 QUINOXALINYL DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2009-07-16 — — 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-20090180981-A1 QUINOXALINYL DERIVATIVES SQOR, ATG4A, NQO1 KDM4E 683/4885ALDH1A1 746/4885GAA 236/4885

“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.

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