SCHEMBL3657664

SCHEMBL3657664

COC(n1ccc2c(C(=O)c3cccs3)nc(Cl)nc21)[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.38
ADORA1 P30542 9/20 0.38
HPGD P15428 4/20 0.34
NPC1 O15118 4/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN7 P35236 1/20 0.34
HTT P42858 1/20 0.34
DUSP3 P51452 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CATSPER1 Q8NEC5 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN22 Q9Y2R2 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
SCHEMBL3655414 0.79 ADORA2A (0.41) ADORA2AADORA1HPGDNPC1KMT2A
SCHEMBL3657662 0.75 ADORA2A (0.35) ADORA2AADORA1HPGDNPC1KMT2A
SCHEMBL3656439 0.73 ADORA2A (0.42) ADORA2AADORA1HPGDNPC1KMT2A
SCHEMBL3715474 0.72 ADORA2A (0.44) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL3748897 0.72 ALDH1A1 (0.41) ADORA2AADORA1HPGDKMT2ARAB9A
SCHEMBL3703575 0.70 ADORA2A (0.40) ADORA2AADORA1HPGDNPC1KMT2A
SCHEMBL3707622 0.66 ADORA1 (0.40) ADORA2AADORA1HPGDNPC1KMT2A
SCHEMBL3655720 0.65 ADORA2A (0.41) ADORA2AADORA1HPGDNPC1KMT2A
SCHEMBL6214522 0.63 ADORA2A (0.71) ADORA2AADORA1HPGDSADORA2B
SCHEMBL6859410 0.62 ADORA2A (0.51) ADORA2AADORA1HPGDNPC1KMT2A

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-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 15/4885ADORA1 39/4885HPGD 1280/4885

“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.