SCHEMBL2278273

SCHEMBL2278273

O=C(O)c1nccn(CC2CC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
PDE1C Q14123 5/20 0.39
GRM2 Q14416 4/20 0.39
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
KDM4C Q9H3R0 2/20 0.36
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
OPRD1 P41143 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL2287748 0.82 PIK3C3 (0.40) BRD4PDE1CGRM2PDE1APDE1B
SCHEMBL12409687 0.80 PIK3C3 (0.38) BRD4PDE1CGRM2PDE1APDE1B
SCHEMBL12376658 0.79 CNR2 (0.37) BRD4PDE1CGRM2PDE1APDE1B
SCHEMBL27778071 0.79 GRM2 (0.40) BRD4PDE1CGRM2PDE1APDE1B
SCHEMBL27778069 0.74 BRD4 (0.40) BRD4PDE1CGRM2PDE1APDE1B
SCHEMBL996418 0.73 GRM2 (0.48) BRD4GRM2
SCHEMBL2281397 0.72 EGLN1 (0.58) BRD4NOTUM
SCHEMBL14829162 0.69 GRM2 (0.43) GRM2NOTUM
SCHEMBL5655701 0.68 KCNH2 (0.40) BRD4PDE1CPDE1APDE1BPIK3C3
SCHEMBL1078962 0.68 KDM4C (0.45) BRD4GRM2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
CN-101522687-A Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-09-02 CN disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC BRD4 4102/4885PDE1C 930/4885GRM2 1095/4885

“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.