SCHEMBL178407

SCHEMBL178407

Cc1ccc(NCc2nccn2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 2/20 0.56
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TP53 P04637 3/20 0.49
ALOX15 P16050 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GAA P10253 5/20 0.48
KDM4E B2RXH2 5/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 3/20 0.43

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 0.85 TRPM5 (0.54) TRPM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL20843804 0.83 MAOA (0.52) TRPM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL104554 0.83 TRPM5 (0.52) TRPM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL7446567 0.81 TRPM5 (0.51) TRPM5ALDH1A1L3MBTL1GAAKDM4E
SCHEMBL1473418 0.80 TRPM5 (0.50) TRPM5KDM4EMAPTLMNATSHR
SCHEMBL7444492 0.79 KLK1 (0.55) TRPM5
SCHEMBL1473306 0.78 SMN1; SMN2 (0.53) TRPM5ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12498384 0.76 TRPM5 (0.52) TRPM5ALDH1A1RAB9ATP53KDM4E
SCHEMBL3640996 0.76 TRPM5 (0.46) TRPM5ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL13211894 0.74 POLB (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 1398/4885ALDH1A1 3128/4885L3MBTL1 4139/4885

“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.