SCHEMBL7116757

SCHEMBL7116757

Nc1nc(=O)c2c(ncn2Cc2ccc3ccccc3c2)n1Cc1ccc2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.39
ALOX5AP P20292 2/20 0.39
BACE1 P56817 2/20 0.36
PNP P00491 2/20 0.36
VDR P11473 1/20 0.36
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HCRTR2 O43614 1/20 0.35
MET P08581 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL7111074 0.90 PNP (0.44) ADORA2ABACE1PNPVDRPDE10A
SCHEMBL7120152 0.86 PNP (0.45) ADORA2ABACE1PNPVDRPDE10A
SCHEMBL6547901 0.84 GAA (0.39) ADORA2AALOX5APBACE1VDRGAA
SCHEMBL7117280 0.84 PNP (0.45) ADORA2APNPALDH1A1SMN1; SMN2HIF1A
SCHEMBL7111860 0.84 PNP (0.45) ADORA2APNPALDH1A1SMN1; SMN2HIF1A
SCHEMBL7113247 0.83 PNP (0.39) ADORA2ABACE1PNPVDRGAA
SCHEMBL7113866 0.83 PNP (0.39) ADORA2ABACE1PNPVDRPDE10A
SCHEMBL7110374 0.83 SMN1; SMN2 (0.48) ADORA2APNPPDE10ASMN1; SMN2
SCHEMBL7112394 0.82 ADORA2A (0.39) ADORA2AALOX5APBACE1PNPVDR
SCHEMBL7118322 0.82 PNP (0.39) ADORA2ABACE1PNPVDRPDE10A

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-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US claimed
US-20030186978-A1 Novel telomerase inhibitors PHARMACIA ITALIA, SPA (IT) 2003-10-02 US disclosed
WO-2001096339-A1 NOVEL TELOMERASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2001-12-20 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-20030186978-A1 Novel telomerase inhibitors TERT, TERF2IP, TERF2 ADORA2A 4414/4885ALOX5AP 3952/4885BACE1 3523/4885

“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.