SCHEMBL4552370

SCHEMBL4552370

C=CCN(CC=C)CCn1c(=O)n(CC=C)c2nc(N)nc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.37
ADORA2A P29274 3/20 0.37
CYP3A4 P08684 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
USP2 O75604 2/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4413622 0.85 ADORA2B (0.39) ADORA2BADORA2ACYP3A4PDE4APDE4B
SCHEMBL4551948 0.85 ADORA2B (0.46) ADORA2BADORA2ACYP3A4PDE4APDE4B
SCHEMBL8668697 0.76 HTT (0.37) ADORA2BADORA2ACYP3A4PDE4APDE4B
SCHEMBL4415172 0.72 ADORA2B (0.39) ADORA2BADORA2ACYP3A4USP2ADORA3
SCHEMBL874074 0.64 TSHR (0.39) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4551932 0.64 TRAP1 (0.54) ADORA2BADORA2AADORA3
SCHEMBL872655 0.63 ALDH1A1 (0.39) ADORA2BADORA2ACYP3A4PDE4APDE4B
SCHEMBL872374 0.62 ADORA2A (0.40) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL15261850 0.61 PIK3CA (0.33) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL15261783 0.60 PDE5A (0.49) ADORA2APDE4APDE4BPDE4CPDE4D

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
EP-2012791-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2009-01-14 EP disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 ADORA2B 3864/4885ADORA2A 3831/4885CYP3A4 4723/4885

“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.