SCHEMBL12376658

SCHEMBL12376658

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP3K5 Q99683 2/20 0.37
BRD4 O60885 4/20 0.37
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
PDE1C Q14123 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
PDE1A P54750 1/20 0.33
PDE1B Q01064 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
SCHEMBL12409687 0.83 PIK3C3 (0.38) CNR2MAP3K5BRD4GRM2PIK3C3
SCHEMBL2287748 0.80 PIK3C3 (0.40) KMT2ABRD4GRM2ALDH1A1PIK3C3
SCHEMBL2278273 0.79 BRD4 (0.39) BRD4GRM2PIK3C3PDE1CPDE1A
SCHEMBL12376643 0.76 MEN1 (0.61) MEN1KMT2ABRD4ALDH1A1
SCHEMBL13101593 0.75 ALDH1A1 (0.39) CNR2MEN1KMT2AALDH1A1CNR1
SCHEMBL13101591 0.74 ALDH1A1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL27778069 0.69 BRD4 (0.40) BRD4GRM2PIK3C3PDE1CPDE1A
SCHEMBL27778071 0.69 GRM2 (0.40) BRD4GRM2PDE1CPDE1APDE1B
SCHEMBL12376648 0.68 RIPK1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL13101595 0.68 RIPK1 (0.41) ALDH1A1

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 2 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
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 CNR2 482/4885MEN1 3149/4885KMT2A 4415/4885

“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.