SCHEMBL19207432

SCHEMBL19207432

CCCCCCn1c(=O)[nH]c2c(C#N)nc(-c3ccc(OCC)cc3)nc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.44
TLR8 Q9NR97 3/20 0.41
ADORA2B P29275 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
UBE2N P61088 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL19254586 0.88 ADORA2B (0.41) ADORA2BADORA3ADORA2AADORA1KDM4E
SCHEMBL19254587 0.85 ALDH1A1 (0.41) ADORA2BKDM4EALDH1A1MAPTHPGD
SCHEMBL19207491 0.82 CSNK2A1 (0.49) TLR7ADORA2BADORA3ADORA2AADORA1
SCHEMBL19254588 0.80 HDAC3 (0.47) TLR7ADORA2BADORA3ADORA2AADORA1
SCHEMBL19207635 0.75 HDAC3 (0.60) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19207423 0.74 CSNK2A1 (0.49) TLR7ADORA2BADORA3ADORA2AADORA1
SCHEMBL19207434 0.72 CSNK2A1 (0.47) TLR7KDM4EALDH1A1MAPTHPGD
SCHEMBL19254333 0.72 CSNK2A1 (0.47) TLR7KDM4EALDH1A1MAPTHPGD
SCHEMBL19207433 0.72 CSNK2A1 (0.41) KDM4EMAPTHSD17B10
SCHEMBL19207408 0.65 THRB (0.49) KDM4EALDH1A1MAPTHPGD

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-10765681-B2 Purine compounds possessing anticancer activity ACADEMIA SINICA (TW) 2020-09-08 US disclosed
US-20180369249-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2018-12-27 US disclosed
WO-2017136689-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY ACADEMIA SINICA (TW) 2017-08-10 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 (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-20180369249-A1 PURINE COMPOUNDS POSSESSING ANTICANCER ACTIVITY NTPCR, PNP, NUDT1 TLR7 1697/4885TLR8 2844/4885ADORA2B 106/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 TLR7 1697/4885TLR8 2844/4885ADORA2B 106/4885

“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.