SCHEMBL18999987

SCHEMBL18999987

CC(C)c1ncc(C#N)c(C(C)C)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.35
KDM5A P29375 7/20 0.34
MAPK1 P28482 1/20 0.33
PIK3CG P48736 1/20 0.33
CSNK1A1 P48729 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
AR P10275 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL21535430 0.80 MAPK1 (0.36) LRRK2KDM5AMAPK1ARALDH1A1
SCHEMBL26356740 0.80 KDM5A (0.43) LRRK2KDM5AMAPK1CSNK1A1CLK4
SCHEMBL13748960 0.74 KDM5A (0.37) LRRK2KDM5ANPC1ALDH1A1POLB
SCHEMBL28187266 0.71 CSNK1A1 (0.35) LRRK2KDM5AMAPK1PIK3CGCSNK1A1
SCHEMBL20691191 0.71 CSNK1A1 (0.35) LRRK2KDM5AMAPK1PIK3CGCSNK1A1
SCHEMBL27443295 0.71 PIK3CG (0.38) KDM5AMAPK1PIK3CGALDH1A1POLB
SCHEMBL2872592 0.71 CSNK1A1 (0.35) LRRK2KDM5AMAPK1PIK3CGCSNK1A1
SCHEMBL13058613 0.71 CYP11B1 (0.35) LRRK2KDM5APIK3CGARNPC1
SCHEMBL26462871 0.71 HPGDS (0.39) LRRK2KDM5APIK3CGARNPC1
SCHEMBL14225098 0.71 ALDH1A1 (0.40) LRRK2KDM5APIK3CGARNPC1

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
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 LRRK2 836/4885KDM5A 1229/4885MAPK1 1037/4885

“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.