SCHEMBL2287748

SCHEMBL2287748

COC(=O)c1nccn(CC2CC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.40
BRD4 O60885 3/20 0.39
LMNA P02545 1/20 0.38
PDE1C Q14123 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
PDE1A P54750 2/20 0.35
PDE1B Q01064 2/20 0.35
GRM2 Q14416 3/20 0.35
OPRD1 P41143 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B2 P19099 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL2278273 0.82 BRD4 (0.39) PIK3C3BRD4PDE1CPDE1APDE1B
SCHEMBL12409687 0.81 PIK3C3 (0.38) PIK3C3BRD4PDE1CPDE1APDE1B
SCHEMBL12376658 0.80 CNR2 (0.37) PIK3C3BRD4PDE1CPDE1APDE1B
SCHEMBL27778069 0.75 BRD4 (0.40) PIK3C3BRD4PDE1CPDE1APDE1B
SCHEMBL2285307 0.74 HSP90AA1 (0.52) BRD4GAAOPRD1ALDH1A1KMT2A
SCHEMBL23900733 0.72 SMN1; SMN2 (0.43) BRD4L3MBTL1GAAALDH1A1POLB
SCHEMBL27778071 0.71 GRM2 (0.40) BRD4PDE1CPDE1APDE1BGRM2
SCHEMBL2409647 0.69 PDPK1 (0.46)
SCHEMBL23900552 0.69 L3MBTL1 (0.40) LMNAL3MBTL1GAAALDH1A1POLB
SCHEMBL6377980 0.67 NR1I2 (0.35) L3MBTL1

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US 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 PIK3C3 45/4885BRD4 4102/4885LMNA 4174/4885

“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.