SCHEMBL19714775

SCHEMBL19714775

Cc1ccn2c(c1)nc1cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
DNMT1 P26358 1/20 0.39
POLB P06746 3/20 0.39
COMT P21964 1/20 0.38
USP7 Q93009 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B1 P15538 1/20 0.38

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 0.86 ALDH1A1 (0.41) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL19714789 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL19714768 0.80 SLC6A2 (0.39) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL19714765 0.80 ALK (0.49) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL24553487 0.78 PTPN2 (0.51) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL18838772 0.77 IKBKB (0.47) ALDH1A1KDM4ERAB9AMAPTMAPK1
SCHEMBL23917383 0.77 KDR (0.48) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL19735198 0.77 KDM4E (0.60) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL19714785 0.74 HTR3E (0.41) ALDH1A1KDM4ERAB9ANPC1TP53
SCHEMBL19714763 0.72 KDM4E (0.40) ALDH1A1KDM4ERAB9ANPC1SMN1; 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 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 ALDH1A1 168/4885KDM4E 2200/4885RAB9A 358/4885
US-20170362226-A1 RADIOACTIVE HALOGEN-LABELED PYRIDO [1,2-A] BENZIMIDAZOLE DERIVATIVE COMPOUND BRI3BP, BRD1, BRDT ALDH1A1 168/4885KDM4E 2200/4885RAB9A 358/4885

“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.