SCHEMBL8011227

SCHEMBL8011227

Cc1nc2ccccc2nc1-c1cccn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ GAA P10253 1/20 0.54
▸ RECQL P46063 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39

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
SCHEMBL13787411 0.78 KDM4E (0.46) KDM4EALDH1A1GAARECQLNPC1
SCHEMBL18812370 0.70 HSP90AA1 (0.53) KDM4EALDH1A1GAANPC1MAPT
SCHEMBL578047 0.69 KDM4E (0.47) KDM4EALDH1A1GAARECQLNPC1
SCHEMBL923856 0.69 TDP1 (0.67) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL31135158 0.69 TDP1 (0.67) KDM4EALDH1A1GAANPSR1MAPT
SCHEMBL197196 0.68 PCSK9 (0.60) KDM4EALDH1A1GAARECQLNPC1
SCHEMBL103601 0.68 MAPT (0.62) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL29364974 0.68 MAPT (0.62) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL16263093 0.68 NPC1 (0.53) KDM4EALDH1A1GAARECQLNPC1
SCHEMBL11011451 0.66 MAPT (0.59) KDM4EALDH1A1GAAMAPTHSD17B10

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 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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