SCHEMBL888960

SCHEMBL888960

CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1Nc1ncc(-c2ccc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)OC(C)(C)C)n4)ccc3c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.41
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
WNT1 P04628 1/20 0.35
FGFR4 P22455 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HCRTR1 O43613 1/20 0.34
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL888943 1.00 SYK (0.41) SYKGSK3BDYRK1AWNT1FGFR4
SCHEMBL12771532 0.86 USP30 (0.46) SYKHDAC4HDAC6
SCHEMBL12771539 0.86 USP30 (0.46) SYKHDAC4HDAC6
SCHEMBL888980 0.85 USP30 (0.45) SYKHDAC4HDAC6
SCHEMBL12104032 0.83 ALDH1A1 (0.43) KDM4ENPC1RAB9AL3MBTL1
SCHEMBL14924575 0.83 ALDH1A1 (0.43) KDM4ENPC1RAB9AL3MBTL1
SCHEMBL888977 0.83 PRMT5 (0.43) GSK3BDYRK1AWNT1HCRTR1
SCHEMBL14924576 0.83 ALDH1A1 (0.41) KDM4ENPC1RAB9AL3MBTL1
SCHEMBL16904938 0.83 ALDH1A1 (0.41) KDM4ENPC1RAB9AL3MBTL1
SCHEMBL12771661 0.83 HDAC4 (0.48) HDAC4HDAC6NPC1AURKAPDPK1

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-8759332-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 SYK 3955/4885GSK3B 306/4885DYRK1A 4861/4885

“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.