SCHEMBL1283076

SCHEMBL1283076

NNC(=O)c1cn2c(-n3cccn3)cc(Br)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
METTL3 Q86U44 2/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 3/20 0.31
ADORA2A P29274 3/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1283106 0.78 LRRK2 (0.35) MAPTLMNAALDH1A1GAAADORA2A
SCHEMBL1283019 0.75
SCHEMBL1283070 0.72 GSK3B (0.36) P2RX7ADORA2AADORA1
SCHEMBL31295480 0.68 MAPT (0.62) CYP1A2CYP3A4MAPTMETTL3LMNA
SCHEMBL31717941 0.66 MAPT (0.59) CYP1A2CYP3A4MAPTP2RX7TDP1
SCHEMBL7431411 0.64 KDM4E (0.48) CYP1A2CYP3A4MAPTLMNAP2RX7
SCHEMBL31295453 0.62 CYP1A2 (0.61) CYP1A2CYP3A4MAPTMETTL3ALDH1A1
SCHEMBL25297033 0.62 KDM4E (0.36) CYP1A2MAPTALDH1A1GAAADORA2A
SCHEMBL25254100 0.62 APOBEC3A (0.38) MAPTLMNAHIF1AALDH1A1GAA
SCHEMBL31295474 0.61 GAA (0.63) CYP1A2CYP3A4MAPTLMNAP2RX7

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 6 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
EP-2625178-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS Biota Europe Ltd (GB) 2013-08-14 EP disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US disclosed
WO-2012045124-A1 BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS BIOTA EUROPE LTD (GB) 2012-04-12 WO 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 CYP1A2 750/4885CYP3A4 363/4885MAPT 3134/4885

“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.