SCHEMBL19714768

SCHEMBL19714768

CN(C)c1ccn2c(c1)nc1cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
RAD51 Q06609 3/20 0.37
TLR9 Q9NR96 2/20 0.37
APP P05067 4/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPM1 P06748 3/20 0.35
ALK Q9UM73 3/20 0.35
TERT O14746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL31031257 0.82 ALDH1A1 (0.41) ALDH1A1NPC1TP53MAPTALOX15
SCHEMBL19714764 0.82 APP (0.40) RAD51TLR9APPALDH1A1NPC1
SCHEMBL19714775 0.80 ALDH1A1 (0.45) ALDH1A1NPC1TP53MAPTALOX15
SCHEMBL19714778 0.77 RAD51 (0.42) RAD51TLR9APPALDH1A1NPC1
SCHEMBL19714765 0.77 ALK (0.49) RAD51ALDH1A1NPC1TP53MAPT
SCHEMBL23917383 0.73 KDR (0.48) ALDH1A1NPC1MAPTMAPK1RAB9A
SCHEMBL19735198 0.73 KDM4E (0.60) ALDH1A1NPC1TP53MAPTALOX15
SCHEMBL31031228 0.69 ALDH1A1 (0.32) ALDH1A1NPC1TP53MAPTALOX15
SCHEMBL31031218 0.69 SUV39H2 (0.34) ALDH1A1NPC1TP53MAPTALOX15
SCHEMBL21623397 0.68 ALK (0.48) RAD51ALDH1A1NPC1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3339309-B1 RADIOACTIVE HALOGEN-LABELED PYRIDO[1,2-A]BENZIMIDAZOLE DERIVATIVE COMPOUND UNIV KYOTO (JP) 2020-04-29 EP disclosed
US-10081630-B2 Radioactive halogen-labeled pyrido [1,2-A] benzimidazole derivative compound KYOTO UNIVERSITY (JP) 2018-09-25 US disclosed
EP-3339309-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO[1,2-A]BENZIMIDAZOLE DERIVATIVE COMPOUND Kyoto University (JP) 2018-06-27 EP disclosed
US-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND KYOTO UNIVERSITY (JP) 2017-12-21 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-10081630-B2 Radioactive halogen-labeled pyrido [1,2-A] benzimidazole derivative compound BRI3BP, BRD1, BRDT SLC6A2 618/4885RAD51 1381/4885TLR9 4780/4885
US-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND BRI3BP, BRD1, BRDT SLC6A2 618/4885RAD51 1381/4885TLR9 4780/4885

“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.