SCHEMBL13122014

SCHEMBL13122014

CC(C)c1ccc2c(C(C)C)[nH]nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
ADRB3 P13945 1/20 0.36
LMNA P02545 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SCN4A P35499 1/20 0.34
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
TYR P14679 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL13122880 0.81 CHEK1 (0.39) ADRB3LMNAALDH1A1MAPK1KDM4E
SCHEMBL13154924 0.81 ADORA2A (0.43) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL13188449 0.80 ADRB3 (0.34) ADRB3MAPK1HSP90AB1
SCHEMBL2706170 0.71 KIF11 (0.42) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27251656 0.70 CDK8 (0.49) LMNAAURKADAPK3JAK2MAP4K4
SCHEMBL19976722 0.70 PRKAA1 (0.37) AURKADAPK3JAK2MAP4K4PAK4
SCHEMBL26124815 0.69 CSNK2A1 (0.49) LMNARAB9ASMN1; SMN2ALDH1A1JAK2
SCHEMBL17693131 0.68 ALDH1A1 (0.48) KIF11LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27112037 0.68 KIF11 (0.48) KIF11LMNAALDH1A1TYRAURKA
SCHEMBL25952897 0.67 PRKAA1 (0.37) ALDH1A1MAPK1AURKADAPK3JAK2

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-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KIF11 3339/4885ADRB3 3236/4885LMNA 2800/4885

“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.