SCHEMBL8205488

SCHEMBL8205488

Cn1nc(-c2ccccc2)c(-c2cccc(C(=O)N3CCOCC3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
MEN1 O00255 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 2/20 0.52
ERN1 O75460 1/20 0.52
ALDH1A1 P00352 5/20 0.51
PLK4 O00444 1/20 0.51
JAK2 O60674 1/20 0.51
MAP4K4 O95819 1/20 0.51
ROS1 P08922 1/20 0.51
FGFR1 P11362 1/20 0.51
FLT1 P17948 1/20 0.51
MARK3 P27448 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
FLT3 P36888 1/20 0.51
CLK2 P49760 1/20 0.51
CSNK1G2 P78368 1/20 0.51

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
SCHEMBL13510689 0.88 HPGD (0.56) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL13509092 0.87 HPGD (0.55) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL4245858 0.79 HPGD (0.74) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL578276 0.78 HPGD (0.61) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL8205487 0.77 CLK4 (0.50) MEN1KMT2AJAK2MAP4K4FGFR1
SCHEMBL10720509 0.77 L3MBTL1 (0.71) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL7222464 0.76 HPGD (0.78) HPGDMEN1RAB9AKMT2AL3MBTL1
SCHEMBL20467484 0.75 HPGD (0.77) HPGDRAB9AL3MBTL1TSHRALDH1A1
SCHEMBL946143 0.75 HPGD (0.86) HPGDKMT2AL3MBTL1TSHRALDH1A1
SCHEMBL28151113 0.74 HPGD (0.54) HPGDMEN1RAB9AKMT2AL3MBTL1

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 US disclosed
WO-2008021960-A2 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-21 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC HPGD 1050/4885MEN1 4105/4885RAB9A 3387/4885

“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.