SCHEMBL3655720

SCHEMBL3655720

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.41
ADORA1 P30542 11/20 0.41
PARP1 P09874 1/20 0.41
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CATSPER1 Q8NEC5 1/20 0.39
HSD17B10 Q99714 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 0.77 ADORA2A (0.53) ADORA2AADORA1MAPTLMNAKDM4E
SCHEMBL1654705 0.75 PDK1 (0.39) ADORA2AADORA1
SCHEMBL3705263 0.74 ADORA2A (0.49) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL12995597 0.73 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL3656439 0.73 ADORA2A (0.42) ADORA2AADORA1NPC1MAPTRAB9A
SCHEMBL3655414 0.72 ADORA2A (0.41) ADORA2AADORA1NPC1MAPTRAB9A
SCHEMBL1654481 0.72 NPSR1 (0.41) ADORA2AADORA1KDM4EALDH1A1NPSR1
SCHEMBL6214522 0.71 ADORA2A (0.71) ADORA2AADORA1HPGDS
SCHEMBL3703575 0.70 ADORA2A (0.40) ADORA2AADORA1NPC1MAPTRAB9A
SCHEMBL23093275 0.70 NPC1 (0.45) ADORA2AADORA1PARP1NPC1MAPT

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 15/4885ADORA1 39/4885PARP1 1389/4885

“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.