SCHEMBL1707976

SCHEMBL1707976

O=C(Nc1nc2c(F)c(Br)cc(-c3ccccn3)c2s1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ ADORA3 P0DMS8 7/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ KDM4B O94953 1/20 0.49
▸ KDM5B Q9UGL1 1/20 0.49
▸ GRM1 Q13255 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ AGTR1 P30556 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ SLC2A1 P11166 1/20 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
SCHEMBL1842244 0.88 DYRK1A (0.41) ADORA2AADORA1NPC1RAB9AMEN1
SCHEMBL1841862 0.87 HTT (0.36) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL1852504 0.87 ADORA2A (0.43) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL2179449 0.85 MAPT (0.39) ADORA2AADORA1ADORA3KDM4AKDM4B
SCHEMBL1708351 0.85 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1283081 0.77 PIK3CD (0.41) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1841858 0.77 IKBKB (0.36) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL2179447 0.75 GRM1 (0.38) GRM1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL1841780 0.73 GRM1 (0.41) GRM1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1841861 0.72 SQOR (0.32) RAB9AKMT2ALMNAMAPTALDH1A1

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
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 — — US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 — — US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 — — US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 — — 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS ADORA2A 4749/4885ADORA1 4466/4885ADORA3 4623/4885

“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.

Send feedback