SCHEMBL4160288

SCHEMBL4160288

Nc1nc(Oc2ccccc2)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA2B P29275 1/20 0.38
MAP4K4 O95819 1/20 0.38
TRPA1 O75762 1/20 0.37
PAX8 Q06710 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
DHFR P00374 1/20 0.35
AURKA O14965 1/20 0.34
SRC P12931 1/20 0.34
GSK3B P49841 1/20 0.34
MAOA P21397 1/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 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
SCHEMBL17802592 0.76 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2BDHFR
SCHEMBL9681378 0.76 TRPA1 (0.43) ADORA2AMAP4K4TRPA1
SCHEMBL9458749 0.76 ADORA3 (0.55) ADORA2AADORA3ADORA1ALDH1A1
SCHEMBL453219 0.76 ABL1 (0.34) ADORA2AALDH1A1ADORA2BMEN1KMT2A
SCHEMBL7211878 0.73 STK17A (0.41) ADORA2AADORA3ADORA1ALDH1A1AURKA
SCHEMBL5033566 0.73 ABL1 (0.33) ADORA2AALDH1A1ADORA2BMEN1KMT2A
SCHEMBL19539317 0.73 ADORA2A (0.36) ADORA2AADORA3ADORA1ADORA2BCA1
SCHEMBL1741363 0.73 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2BMEN1
SCHEMBL31060622 0.72 ADORA3 (0.70) ADORA2AADORA3ADORA1ALDH1A1
SCHEMBL5694198 0.72 ALOX15 (0.40) ADORA2AADORA3ADORA1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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 (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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 ADORA2A 33/4885ADORA3 29/4885ADORA1 23/4885

“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.