SCHEMBL3707622

SCHEMBL3707622

Cn1cc(Br)c2c(C(=O)c3cccs3)nc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.40
ADORA2A P29274 8/20 0.40
RAB9A P51151 4/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PTPN7 P35236 1/20 0.36
HTT P42858 1/20 0.36
DUSP3 P51452 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CATSPER1 Q8NEC5 1/20 0.36

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
SCHEMBL3703575 0.79 ADORA2A (0.40) ADORA1ADORA2ARAB9APOLBNPC1
SCHEMBL3655414 0.78 ADORA2A (0.41) ADORA1ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL3656439 0.77 ADORA2A (0.42) ADORA1ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL3714414 0.75 ADORA2A (0.61) ADORA1ADORA2A
SCHEMBL6859325 0.73 ADORA2A (0.49) ADORA1ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL3748897 0.69 ALDH1A1 (0.41) ADORA1ADORA2ARAB9ASMN1; SMN2LMNA
SCHEMBL3658945 0.68 CDK1 (0.35)
SCHEMBL6214522 0.68 ADORA2A (0.71) ADORA1ADORA2AHPGDS
SCHEMBL6859410 0.67 ADORA2A (0.51) ADORA1ADORA2ARAB9ANPC1SMN1; SMN2
SCHEMBL3715474 0.67 ADORA2A (0.44) ADORA1ADORA2ASMN1; SMN2LMNAALDH1A1

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 ADORA1 39/4885ADORA2A 15/4885RAB9A 1728/4885

“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.