SCHEMBL3705558

SCHEMBL3705558

Nc1nc(N)c2occc2n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 2/20 0.47
ADORA2A P29274 3/20 0.40
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
NUDT1 P36639 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DHFR P00374 2/20 0.35

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
SCHEMBL12643902 0.79 ADORA2A (0.38) DCPSADORA2APIK3CDPIK3CANUDT1
SCHEMBL14213485 0.79 HSD17B10 (0.50) DCPSADORA2APIK3CDPIK3CANUDT1
SCHEMBL29569254 0.79 HTT (0.41) PIK3CDPIK3CAALDH1A1HPGD
SCHEMBL1709918 0.79 HTT (0.41) PIK3CDPIK3CAALDH1A1HPGD
SCHEMBL18305792 0.75 DHFR (0.41) DCPSDHFR
SCHEMBL1789394 0.70 PI4KA (0.42) ADORA2AALDH1A1HPGDHSD17B10
SCHEMBL1290607 0.69 PIK3CD (0.30) PIK3CDPIK3CA
SCHEMBL3776231 0.69 PDE4A (0.32)
SCHEMBL16836336 0.68 TLR8 (0.46) DCPSADORA2ANUDT1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL30791008 0.68 PI4KA (0.41) ADORA2AALDH1A1HPGDHSD17B10

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
WO-2017205762-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO claimed
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 US claimed
WO-2017205762-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO disclosed
US-8551981-B2 Furo[3,2-d]pyrimidine compounds ABBVIE INC. (US) 2013-10-08 US disclosed
US-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-10-23 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-20120122846-A1 FURO[3,2-d]PYRIMIDINE COMPOUNDS CDK2, DPYD, CDK3 DCPS 1770/4885ADORA2A 441/4885PIK3CD 492/4885
US-20080261823-A1 Fluorescent Nucleoside Analogs That Mimic Naturally Occurring Nucleosides NSUN2, NSUN3, NCL DCPS 443/4885ADORA2A 243/4885PIK3CD 4189/4885

“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.