SCHEMBL5859643

SCHEMBL5859643

CCc1nc(C2=CC=C2)n2nc(-c3ccc(C(=O)O)cc3)[nH]c(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.39
ADORA2A P29274 4/20 0.39
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE5A O76074 3/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 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
SCHEMBL5884367 0.88 PDE5A (0.45) TNKSPARP1TNKS2PDE5AKDM4E
SCHEMBL5884437 0.88 TNKS (0.37) TNKSPARP1TNKS2RAB9APDE5A
SCHEMBL5883909 0.86 TNKS (0.37) TNKSPARP1TNKS2PDE5AKDM4E
SCHEMBL5729050 0.80 ALDH1A1 (0.38) ADORA3TNKS2PDE5AKDM4EALDH1A1
SCHEMBL5883954 0.79 MEN1 (0.38) ADORA3KMT2AMEN1PDE5AGAA
SCHEMBL5884374 0.79 NPC1 (0.37) PARP1KMT2AMEN1NPC1RAB9A
SCHEMBL5884299 0.79 PIN1 (0.37) ADORA3PDE5AALDH1A1GAAPDE2A
SCHEMBL5859641 0.77 PDE5A (0.47) ADORA2BADORA2AADORA1ADORA3TNKS
SCHEMBL5859626 0.77 PDE5A (0.49) ADORA2BADORA2AADORA1ADORA3TNKS
SCHEMBL5884419 0.77 PDE5A (0.50) TNKSPARP1TNKS2PDE5AKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074790-B2 5-ethylimidarotriazones BAYER HEALTHCARE AG (DE) 2006-07-11 US disclosed
US-20060040942-A1 5-ethylimidarotriazones BAYER HEALTHCARE AG (DE) 2006-02-23 US disclosed
EP-1506198-A1 5-ETHYLIMIDAROTRIAZONES Bayer HealthCare AG (DE) 2005-02-16 EP disclosed
WO-2003097645-A1 5-ETHYLIMIDAROTRIAZONES BAYER HEALTHCARE AG (DE) 2003-11-27 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-20060040942-A1 5-ethylimidarotriazones IL5, EPX, NFATC1 ADORA2B 1898/4885ADORA2A 2034/4885ADORA1 1820/4885

“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.