SCHEMBL5178357

SCHEMBL5178357

CCNc1nc(SCCc2ccccc2)nc2c1nc(-c1ccco1)n2-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.47
ADORA2A P29274 7/20 0.47
ADORA2B P29275 7/20 0.47
TMIGD3 P0DMS9 6/20 0.47
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 4/20 0.40
PSMD14 O00487 1/20 0.40
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
PDE4B Q07343 2/20 0.39
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
CXCR2 P25025 1/20 0.38

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
SCHEMBL5163808 0.95 ADORA1 (0.47) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5351461 0.92 ADORA1 (0.44) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5163015 0.88 ADORA2A (0.45) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5359586 0.84 ADORA2A (0.58) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5160542 0.82 ADORA2A (0.59) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5161080 0.82 ADORA1 (0.48) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5158790 0.81 ADORA1 (0.50) ADORA1ADORA2AADORA2BTMIGD3ALDH1A1
SCHEMBL5161412 0.81 ADORA2A (0.41) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5163082 0.77 ADORA2A (0.52) ADORA1ADORA2AADORA2BTMIGD3TSHR
SCHEMBL5162193 0.77 TMIGD3 (0.42) ADORA1ADORA2AADORA2BTMIGD3TSHR

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-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA1 4/4885ADORA2A 1/4885ADORA2B 2/4885

“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.