SCHEMBL3705263

SCHEMBL3705263

O=C(c1cccs1)c1nc(NCc2ccccn2)nc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.49
ADORA2B P29275 10/20 0.49
ADORA1 P30542 8/20 0.46
ADORA3 P0DMS8 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GBA1 P04062 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
VNN1 O95497 1/20 0.39

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
SCHEMBL3653832 0.84 ADORA2A (0.53) ADORA2AADORA2BADORA1ADORA3KDM4E
SCHEMBL12995597 0.81 ADORA2A (0.66) ADORA2AADORA2BADORA1ADORA3VNN1
SCHEMBL6214643 0.79 ADORA2A (0.75) ADORA2AADORA2BADORA1
SCHEMBL3655720 0.74 ADORA2A (0.41) ADORA2AADORA1KDM4EHSD17B10ALDH1A1
SCHEMBL3660611 0.65 ADORA2B (0.64) ADORA2AADORA2BADORA3KDM4EHSD17B10
SCHEMBL20784504 0.65 ADORA2A (1.00) ADORA2AADORA2BADORA3
SCHEMBL20119610 0.65 JAK2 (0.51) KDM4EHSD17B10ALDH1A1GBA1MAPT
SCHEMBL12046053 0.65 SMN1; SMN2 (0.57) ALDH1A1MAPTSMN1; SMN2
SCHEMBL30770799 0.64 MAOA (0.56) ADORA2AADORA2BKDM4EHSD17B10ALDH1A1
SCHEMBL6858372 0.63 ADORA2A (1.00) ADORA2AADORA2BADORA1ADORA3

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-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

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.