SCHEMBL1283115

SCHEMBL1283115

Nc1nc2cc(Cl)cc(-n3cccn3)n2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.38
NOTUM Q6P988 1/20 0.38
MAT2A P31153 2/20 0.36
NUDT1 P36639 4/20 0.36
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
KMT2A Q03164 1/20 0.33
TDO2 P48775 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL1282560 0.95 ADORA2A (0.35) ADORA2ANOTUMMAT2ANUDT1ADORA1
SCHEMBL2788260 0.78 NUDT1 (0.46) ADORA2ANOTUMNUDT1ADORA1ADORA3
SCHEMBL1282292 0.71 NUDT1 (0.40) NUDT1KDM4EALDH1A1GAAMEN1
SCHEMBL2789232 0.69 NUDT1 (0.41) NUDT1NPC1
SCHEMBL20844717 0.68 NUDT1 (0.38) NUDT1KDM4EALDH1A1GAANPC1
SCHEMBL25254100 0.63 APOBEC3A (0.38) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL20416864 0.63 KDM4E (0.46) ADORA2ANOTUMMAT2AADORA1ADORA3
SCHEMBL9287646 0.62 NOTUM (0.52) ADORA2ANOTUMMAT2AKDM4EALDH1A1
SCHEMBL17353475 0.62 ADORA2A (0.38) ADORA2ANOTUMMAT2AADORA1ADORA3
Lithium Ion SCHEMBL25257758 0.61 KDM4E (0.32) ADORA2AADORA1ADORA3ADORA2BKDM4E

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 9 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-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
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
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 4749/4885NOTUM 970/4885MAT2A 4123/4885

“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.