SCHEMBL1063264

SCHEMBL1063264

Nc1ccnc(-c2cc(N)cc3ccoc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 4/20 0.46
ADORA2A P29274 3/20 0.40
KDM4C Q9H3R0 2/20 0.39
DYRK1A Q13627 1/20 0.33
ADORA1 P30542 1/20 0.33
CFD P00746 1/20 0.32
LCK P06239 1/20 0.32
KDM1A O60341 3/20 0.32
TP53 P04637 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1064254 0.83 ADORA2A (0.38) ASIC3ADORA2AKDM4CDYRK1AADORA1
SCHEMBL1062624 0.75 DYRK1A (0.44) ADORA2ADYRK1AADORA1SMN1; SMN2ALDH1A1
SCHEMBL1062470 0.72 TDO2 (0.46) ADORA2AKDM4EALDH1A1HSP90AA1HSP90AB1
SCHEMBL1059268 0.72 MAP4K4 (0.45) ADORA2ADYRK1ACFDKDM4EALDH1A1
SCHEMBL1062365 0.71 ADORA2A (0.38) ADORA2ADYRK1AADORA1CFDATM
SCHEMBL4361201 0.70 ASIC3 (0.57) ASIC3KDM4CTP53SMN1; SMN2KDM4E
SCHEMBL314105 0.70 ASIC3 (0.67) ASIC3KDM4CTP53SMN1; SMN2KDM4E
SCHEMBL7089309 0.70 ASIC3 (0.52) ASIC3KDM4CKDM1ATP53SMN1; SMN2
SCHEMBL2274975 0.69 MAOA (0.39) ADORA2ADYRK1AADORA1ALDH1A1TSHR
SCHEMBL18152703 0.68 ADORA2A (0.35) ADORA2AADORA1CFDTP53SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A ASIC3 1467/4885ADORA2A 38/4885KDM4C 3618/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A ASIC3 1762/4885ADORA2A 108/4885KDM4C 3013/4885

“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.