SCHEMBL19863981

SCHEMBL19863981

CCC(C)(C)CCc1cnn(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
PDE10A Q9Y233 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PDE8B O95263 1/20 0.33
GAA P10253 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
ALDH1A1 P00352 3/20 0.33
SCN2A Q99250 1/20 0.33
CECR2 Q9BXF3 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BRS3 P32247 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL7981590 0.84 PDE8B (0.35) KCNH2PDE10ASMN1; SMN2PDE8BGAA
SCHEMBL9944488 0.83 KCNH2 (0.37) KCNH2PDE10ASMN1; SMN2PDE8BGAA
SCHEMBL24999911 0.81 KCNH2 (0.36) KCNH2PDE10ASMN1; SMN2GAAJAK2
SCHEMBL8342570 0.77
SCHEMBL26774843 0.76 HDAC6 (0.36) KCNH2PDE10ASMN1; SMN2PDE8BGAA
SCHEMBL24999915 0.75 KCNH2 (0.35) KCNH2PDE10ASMN1; SMN2GAAJAK2
SCHEMBL23617844 0.75 MEN1 (0.36) KCNH2PDE10ASMN1; SMN2PDE8BGAA
SCHEMBL12425628 0.73 HSD11B1 (0.39) KCNH2PDE10ASMN1; SMN2PDE8BALDH1A1
SCHEMBL178438 0.72
SCHEMBL1912670 0.71 KCNH2 (0.39) KCNH2PDE10ASMN1; SMN2GAAJAK2

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-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 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-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 KCNH2 4070/4885PDE10A 441/4885SMN1; SMN2 2257/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KCNH2 4229/4885PDE10A 455/4885SMN1; SMN2 1464/4885

“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.