SCHEMBL19714751

SCHEMBL19714751

COc1ccc2c(c1)nc1cc(I)ccn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 4/20 0.48
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
APP P05067 4/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
NQO2 P16083 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
ALK Q9UM73 2/20 0.38
NPM1 P06748 1/20 0.38
FGFR1 P11362 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37

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
SCHEMBL19714784 0.88 APP (0.43) RAD51TDP1ALDH1A1SMN1; SMN2APP
SCHEMBL19714785 0.80 HTR3E (0.41) ALDH1A1POLBKDM4EMEN1NPC1
SCHEMBL19714774 0.77 RAD51 (0.39) RAD51TDP1ALDH1A1POLBHTT
SCHEMBL19714765 0.77 ALK (0.49) RAD51TDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL19714766 0.77 KDM4E (0.38) ALDH1A1SMN1; SMN2APPPOLBKDM4E
SCHEMBL19714789 0.74 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBKDM4EMEN1
SCHEMBL19714781 0.73 TDP1 (0.42) RAD51TDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL23253339 0.72 TDP1 (0.49) RAD51TDP1ALDH1A1SMN1; SMN2POLB
SCHEMBL31031242 0.71 KDM4E (0.43) RAD51ALDH1A1POLBKDM4EMEN1
SCHEMBL19714769 0.71 KDM4E (0.38) ALDH1A1APPPOLBKDM4EMEN1

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 RAD51 1381/4885TDP1 1916/4885ALDH1A1 168/4885
US-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND BRI3BP, BRD1, BRDT RAD51 1381/4885TDP1 1916/4885ALDH1A1 168/4885

“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.