SCHEMBL13145696

SCHEMBL13145696

CC(C)(C)c1ccnc(NC(=O)CN)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
NR3C2 P08235 3/20 0.46
RIOK2 Q9BVS4 1/20 0.44
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
AR P10275 1/20 0.40
ANO1 Q5XXA6 1/20 0.40

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
SCHEMBL26661469 0.86 JAK2 (0.50) JAK2TYK2NR3C2RIOK2RAB9A
SCHEMBL12203077 0.86 MAPK14 (0.51) JAK2TYK2NR3C2RIOK2RAB9A
SCHEMBL5029364 0.83 NR3C2 (0.59) NR3C2
SCHEMBL12203086 0.82 SMN1; SMN2 (0.48) NR3C2RIOK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL26722263 0.82 RIOK2 (0.48) NR3C2RIOK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2635471 0.81 NR3C2 (0.47) NR3C2RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL84506 0.81 L3MBTL1 (0.52) JAK2TYK2MAPK14L3MBTL1
SCHEMBL12203076 0.80 ALDH1A1 (0.43) NR3C2RIOK2RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12062262 0.80 ALDH1A1 (0.60) RIOK2RAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL12203066 0.78 GCK (0.54) NR3C2RAB9ASMN1; SMN2ALDH1A1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 JAK2 105/4885TYK2 237/4885NR3C2 329/4885

“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.