SCHEMBL3784754

SCHEMBL3784754

Cn1ccc2c(C(=O)c3cccs3)nc(NCc3cccnc3)nc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.64
ADORA2B P29275 18/20 0.64
ADORA1 P30542 8/20 0.60
ADORA3 P0DMS8 7/20 0.60
VNN1 O95497 1/20 0.58

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
SCHEMBL3709063 0.89 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3661435 0.88 ADORA2A (0.63) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3765363 0.87 ADORA2A (0.65) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3708446 0.87 ADORA2A (0.57) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3710910 0.86 ADORA2A (0.61) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3658263 0.86 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3651671 0.86 ADORA2A (0.61) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3651011 0.86 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3714414 0.84 ADORA2A (0.61) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL3761495 0.84 ADORA2A (0.58) ADORA2AADORA2BADORA1ADORA3VNN1

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
US-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2010-12-02 US disclosed
US-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2010-12-02 US disclosed
US-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2010-12-02 US disclosed
EP-2203452-A1 PYRROLOPYRIMIDINE COMPOUNDS Vernalis (R&D) Ltd. (GB) 2010-07-07 EP disclosed
WO-2009037467-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2009-03-26 WO disclosed
WO-2009037467-A1 PYRROLOPYRIMIDINE COMPOUNDS VERNALIS (R & D) LTD. (GB) 2009-03-26 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-20100305143-A1 PYRROLOPYRIMIDINE COMPOUNDS ADORA2B, CNR2, CNR1 ADORA2A 15/4885ADORA2B 1/4885ADORA1 39/4885

“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.