SCHEMBL10052153

SCHEMBL10052153

CC(C)c1nc2c(-c3ccccc3)cccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ENPP1 P22413 2/20 0.40
RET P07949 1/20 0.39
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
LIMK1 P53667 1/20 0.38
LIPG Q9Y5X9 3/20 0.37
F9 P00740 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
NOD2 Q9HC29 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HPGD P15428 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
SCHEMBL28856400 0.81 LIMK1 (0.39) ENPP1RETFLT1KDRMAPK14
SCHEMBL20067062 0.80 TLR8 (0.46) TLR8TLR7LIMK1LOXL2MAPT
SCHEMBL900791 0.78 ALOX5 (0.43) TLR8TLR7ENPP1RETFLT1
SCHEMBL28215029 0.76 APP (0.45) ENPP1RETFLT1KDRMAPK14
SCHEMBL21462955 0.76 TLR8 (0.40) TLR8TLR7LOXL2MAPTRAB9A
SCHEMBL10030524 0.76 ALDH1A1 (0.58) TLR8TLR7MAPTRAB9AL3MBTL1
SCHEMBL9307538 0.75 LIPG (0.37) ENPP1RETFLT1KDRMAPK14
SCHEMBL8092634 0.75 ALDH1A1 (0.51) ENPP1RETFLT1KDRMAPK14
SCHEMBL16004771 0.75 RET (0.47) ENPP1RETFLT1KDRMAPK14
SCHEMBL1772204 0.75 RET (0.41) ENPP1RETFLT1KDRMAPK14

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-8815927-B2 Bivalent diazo bicyclic Smac mimetics and the uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-08-26 US disclosed
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-18 US disclosed
US-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS PHARMASCIENCE INC. (CA) 2012-01-12 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 (2 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-20120009141-A1 FUNCTIONALIZED PYRROLIDINES AND USE THEREOF AS IAP INHIBITORS BIRC5, BIRC7, BIRC2 TLR8 3989/4885TLR7 3296/4885ENPP1 1931/4885
US-20120263675-A1 BIVALENT DIAZO BICYCLIC SMAC BIRC2, BID, BIRC3 TLR8 4314/4885TLR7 3898/4885ENPP1 2142/4885

“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.