SCHEMBL784138

SCHEMBL784138

Cc1nc(N)c2ccn(C(C)C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
ADORA1 P30542 4/20 0.33
ADORA2A P29274 3/20 0.33
TLR7 Q9NYK1 2/20 0.33
ADORA2B P29275 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
SLC2A1 P11166 3/20 0.33
DHFR P00374 1/20 0.32
RET P07949 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL14266500 0.84 CDK1 (0.51) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL784044 0.82 GPR4 (0.30)
SCHEMBL22133761 0.77 PKM (0.36)
SCHEMBL19684529 0.77 HRH4 (0.42) ADORA1ADORA2ATLR7ADORA2BDHFR
SCHEMBL19711588 0.75 ADORA1 (0.35) ADORA1ADORA2ATLR7ADORA2B
SCHEMBL30544134 0.75 ADORA2A (0.54) ADORA1ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL6364016 0.75 ADORA2A (0.54) ADORA1ADORA2AADORA2BPI4KAPI4K2B
SCHEMBL21504429 0.74 ADORA2A (0.34) CDK1CCNB1CCNE1CDK2ADORA1
SCHEMBL9102667 0.73 CDK2 (0.45) CDK1CCNE1CDK2ADORA1ADORA2A
SCHEMBL18486834 0.73 TLR7 (0.41) ADORA1ADORA2ATLR7ADORA2BSLC2A1

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
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (3 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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR CDK1 2336/4885CCNB1 2880/4885CCNE1 3606/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR CDK1 2336/4885CCNB1 2880/4885CCNE1 3606/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR CDK1 2336/4885CCNB1 2880/4885CCNE1 3606/4885

“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.