SCHEMBL13787409

SCHEMBL13787409

Cc1csc(NC(=O)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
DAO P14920 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.39
ATM Q13315 1/20 0.39
TYR P14679 1/20 0.39
TP53 P04637 3/20 0.38
MDM4 O15151 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1694410 0.82 DAO (0.52) RAF1DAOKMT2AMEN1TP53
SCHEMBL28196767 0.80 GAA (0.54) RAF1DAOKMT2AMEN1TP53
SCHEMBL11471040 0.80 HSD17B10 (0.48) RAF1DAOKMT2AMEN1MAPT
SCHEMBL7757560 0.78 DAO (0.44) RAF1DAOKMT2AMEN1TP53
SCHEMBL8031103 0.76 TSHR (0.44) RAF1DAOKMT2AMEN1TP53
SCHEMBL8758447 0.74 DAO (0.44) RAF1DAOALDH1A1SMN1; SMN2LMNA
SCHEMBL7289853 0.74 ALDH1A1 (0.49) RAF1DAOKMT2ACDK5MAPT
SCHEMBL2777990 0.74 DAO (0.44) RAF1DAOALDH1A1SMN1; SMN2LMNA
SCHEMBL1380882 0.74 TGM2 (0.49) RAF1DAOLMNA
SCHEMBL29183917 0.73 CYP1A2 (0.51) RAF1KMT2AMEN1MAPTALDH1A1

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-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

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 RAF1 1770/4885DAO 1278/4885KMT2A 2467/4885

“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.