SCHEMBL104554

SCHEMBL104554

CC(C)c1ccc(NCc2nccn2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 2/20 0.52
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
OPRK1 P41145 1/20 0.47
POLB P06746 1/20 0.47
FLT1 P17948 3/20 0.41
KDR P35968 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 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
SCHEMBL22814101 0.84 TRPM5 (0.54) TRPM5NPC1RAB9AOPRK1POLB
SCHEMBL178407 0.83 TRPM5 (0.56) TRPM5NPC1RAB9AOPRK1POLB
SCHEMBL20843804 0.79 MAOA (0.52) TRPM5NPC1RAB9AOPRK1POLB
SCHEMBL7446567 0.78 TRPM5 (0.51) TRPM5OPRK1L3MBTL1GAAKDM4E
SCHEMBL25442212 0.77 RAB9A (0.53) NPC1RAB9AOPRK1FLT1KDR
SCHEMBL1473418 0.77 TRPM5 (0.50) TRPM5OPRK1POLBMAPTKDM4E
SCHEMBL21721828 0.76 HTR1D (0.43) NPC1RAB9AOPRK1POLBL3MBTL1
SCHEMBL2839894 0.76 HDAC4 (0.48) TRPM5OPRK1POLBSMN1; SMN2L3MBTL1
SCHEMBL7444492 0.75 KLK1 (0.55) TRPM5
SCHEMBL1473306 0.74 SMN1; SMN2 (0.53) TRPM5NPC1RAB9APOLBSMN1; SMN2

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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TRPM5 1398/4885NPC1 1892/4885RAB9A 3030/4885

“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.