SCHEMBL1842244

SCHEMBL1842244

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ AGTR1 P30556 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDPK1 O15530 1/20 0.39

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
SCHEMBL2179449 0.89 MAPT (0.39) ADORA1ALDH1A1NPC1RAB9AMEN1
SCHEMBL1707976 0.88 ADORA2A (0.51) ADORA1ALDH1A1NPC1RAB9AMEN1
SCHEMBL1708351 0.88 NPC1 (0.47) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL1841862 0.86 HTT (0.36) ADORA1ALDH1A1NPC1RAB9AMEN1
SCHEMBL2179447 0.78 GRM1 (0.38) ALDH1A1NPC1RAB9AMAPTHTT
SCHEMBL1283081 0.78 PIK3CD (0.41) ALDH1A1NPC1RAB9AMEN1MAPT
SCHEMBL1841858 0.77 IKBKB (0.36) DYRK1AALDH1A1MEN1MAPTHTT
SCHEMBL1841780 0.76 GRM1 (0.41) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1852504 0.75 ADORA2A (0.43) ADORA1ALDH1A1NPC1RAB9AMEN1
SCHEMBL1684077 0.75 NPC1 (0.47) ALDH1A1NPC1RAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — US disclosed
EP-2321309-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS Ranbaxy Laboratories Limited (IN) 2011-05-18 — — EP disclosed
WO-2009156966-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-30 — — WO 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI DYRK1A 1352/4885ADORA1 2802/4885ALDH1A1 2009/4885

“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.

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