SCHEMBL6446516

SCHEMBL6446516

N#Cc1c(NCCNc2ccccc2)nc(N)nc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.48
PIK3CD O00329 4/20 0.43
ADORA1 P30542 7/20 0.42
ADORA2A P29274 6/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HCRTR1 O43613 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL6445919 0.85 HIF1A (0.51) ADORA1ADORA2AMAPTHTTHIF1A
SCHEMBL6447691 0.79 ADORA1 (0.62) ADORA1ADORA2AMAPTKDM4EALDH1A1
SCHEMBL6444939 0.78 APP (0.53) PIK3CDHIF1AKDM4EALDH1A1HPGD
SCHEMBL5036673 0.78 ADORA2A (0.61) ADORA1ADORA2AMAPTHTTHIF1A
SCHEMBL6440590 0.76 ADORA1 (0.39) ADORA1ADORA2AKDM4EALDH1A1ADORA2B
SCHEMBL6441332 0.76 ALDH1A1 (0.44) ADORA1ADORA2AMAPTHTTKDM4E
SCHEMBL6443145 0.76 HIF1A (0.56) PIK3CDMAPTHTTHIF1AKDM4E
SCHEMBL6443539 0.74 ADORA2A (0.48) METAP1ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL6444686 0.73 RAB9A (0.42) METAP1PIK3CDMAPTKDM4EALDH1A1
SCHEMBL5046655 0.73 ADORA2A (0.54) PIK3CDADORA1ADORA2AMAPTHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 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-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 METAP1 2372/4885PIK3CD 1977/4885ADORA1 3/4885

“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.