SCHEMBL19714765

SCHEMBL19714765

COc1ccn2c(c1)nc1cc(Br)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.49
NPM1 P06748 1/20 0.49
RAD51 Q06609 4/20 0.40
ADORA3 P0DMS8 4/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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) ALKNPM1ALDH1A1SMN1; SMN2NPC1
SCHEMBL19714784 0.82 APP (0.43) ALKNPM1RAD51ADORA3TDP1
SCHEMBL19714775 0.80 ALDH1A1 (0.45) ALKNPM1ALDH1A1SMN1; SMN2NPC1
SCHEMBL12324172 0.79 ALK (0.59) ALKNPM1ALDH1A1SMN1; SMN2NPC1
SCHEMBL24554001 0.79 NPM1 (0.49) ALKNPM1RAD51TDP1ALDH1A1
SCHEMBL29671894 0.79 NPM1 (0.49) ALKNPM1RAD51TDP1ALDH1A1
SCHEMBL19714751 0.77 RAD51 (0.48) ALKNPM1RAD51TDP1ALDH1A1
SCHEMBL19714768 0.77 SLC6A2 (0.39) ALKNPM1RAD51ALDH1A1SMN1; SMN2
SCHEMBL19714752 0.74 ADORA3 (0.40) RAD51ADORA3TDP1ALDH1A1POLB
SCHEMBL23917383 0.73 KDR (0.48) ALKNPM1ADORA3ALDH1A1NPC1

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 ALK 213/4885NPM1 555/4885RAD51 1381/4885
US-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND BRI3BP, BRD1, BRDT ALK 213/4885NPM1 555/4885RAD51 1381/4885

“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.