SCHEMBL874074

SCHEMBL874074

CCn1c(=O)n(CCO)c2nc(N)nc(Cl)c21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
PDE5A O76074 2/20 0.36
EEF2K O00418 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAOB P27338 1/20 0.34
ADORA2B P29275 1/20 0.33
ADORA2A P29274 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL872374 0.87 ADORA2A (0.40) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL872655 0.83 ALDH1A1 (0.39) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL15261783 0.83 PDE5A (0.49) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL871896 0.82 TSHR (0.37) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL15261850 0.82 PIK3CA (0.33) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL872256 0.79 P2RX3 (0.31) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL874071 0.78 EEF2K (0.36) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL8668697 0.73 HTT (0.37) PDE4APDE4BPDE4CPDE4DADORA3
SCHEMBL872848 0.71 ADORA2A (0.36) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL4551948 0.70 ADORA2B (0.46) PDE4APDE4BPDE4CPDE4DADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619211-B1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LTD (IN) 2015-09-09 EP disclosed
EP-2619211-B1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LTD (IN) 2015-09-09 EP disclosed
US-9006177-B2 Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LIMITED (IN) 2015-04-14 US disclosed
US-9006177-B2 Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LIMITED (IN) 2015-04-14 US disclosed
US-9006177-B2 Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LIMITED (IN) 2015-04-14 US disclosed
US-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2013-09-26 US disclosed
US-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2013-09-26 US disclosed
US-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2013-09-26 US disclosed
EP-2619211-A2 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Private Limited (IN) 2013-07-31 EP disclosed
WO-2012038980-A2 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2012-03-29 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-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 TSHR 877/4885PDE4A 571/4885PDE4B 604/4885

“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.