SCHEMBL5153092

SCHEMBL5153092

COc1cccc(-n2c(-c3ccco3)nc3cnc(NCCc4ccccc4F)nc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.47
ADORA1 P30542 12/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL5153465 0.85 ADORA2A (0.48) ADORA2AADORA1TP53ALDH1A1MEN1
SCHEMBL8241181 0.84 ADORA2A (0.47) ADORA2AADORA1ALDH1A1MEN1USP2
SCHEMBL5152247 0.82 USP2 (0.48) ADORA2AADORA1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5153106 0.79 SMN1; SMN2 (0.44) ADORA2AADORA1SMN1; SMN2TP53POLB
SCHEMBL5150142 0.78 ALDH1A1 (0.52) ADORA2AADORA1SMN1; SMN2POLBALDH1A1
SCHEMBL4507899 0.78 ADORA2A (0.53) ADORA2AADORA1ALDH1A1USP2CYP1A2
SCHEMBL5332245 0.75 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL4525961 0.74 ADORA2A (0.81) ADORA2AADORA1
SCHEMBL13966183 0.74 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL13966117 0.73 ADORA2A (0.66) ADORA2AADORA1

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-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
US-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2007-09-27 US disclosed
WO-2007030438-A2 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-15 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-20070225304-A1 AMINOPURINE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES TPMT, ADORA2A, ENTPD5 ADORA2A 2/4885ADORA1 4/4885SMN1; SMN2 431/4885

“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.