SCHEMBL91462

SCHEMBL91462

CC(C)c1ccc2c(NC=O)n[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.40
KIF11 P52732 1/20 0.40
GSK3B P49841 6/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39

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
SCHEMBL28258654 0.78 TRPA1 (0.41) DYRK1AGSK3BMAP2K4
SCHEMBL84559 0.78 DYRK1A (0.66) DYRK1AGSK3BMAPK1
SCHEMBL26393960 0.77 JAK2 (0.40) DYRK1AGSK3BDAPK3JAK2MAP4K4
SCHEMBL16076615 0.73 KIF11 (0.47) DYRK1AKIF11GSK3BAURKADAPK3
SCHEMBL11754096 0.73 TRPA1 (0.50) AURKAFLT3MAPK8MAP2K4
SCHEMBL84573 0.73 PDPK1 (0.55) KIF11AURKAJAK2ABL1KDR
SCHEMBL18806213 0.73 KIF11 (0.47) DYRK1AKIF11GSK3BAURKADAPK3
SCHEMBL13741958 0.72 KIF11 (0.55) DYRK1AKIF11GSK3BAURKADAPK3
SCHEMBL28972793 0.71 HDAC6 (0.60) GSK3B
Hydrochloric Acid SCHEMBL8487463 0.71 TRPA1 (0.49) AURKAFLT3MAPK8MAP2K4

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-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS DYRK1A 776/4885KIF11 3300/4885GSK3B 1075/4885

“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.