SCHEMBL12376651

SCHEMBL12376651

CC(C)NC(=O)c1cccn(Cc2ccccc2)c1=O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.73
BRD2 P25440 1/20 0.73
BRD3 Q15059 1/20 0.73
BRDT Q58F21 1/20 0.73
SMN1; SMN2 Q16637 4/20 0.67
MAPT P10636 3/20 0.67
RAB9A P51151 1/20 0.67
CNR1 P21554 3/20 0.62
CNR2 P34972 3/20 0.62
HTT P42858 2/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 3/20 0.58
RXFP1 Q9HBX9 2/20 0.58
TP53 P04637 3/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54

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
SCHEMBL12411779 0.85 BRD4 (1.00) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL13115612 0.82 BRD4 (1.00) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL1137191 0.82 BRD4 (0.70) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL13101588 0.81 BRD4 (0.73) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL31653868 0.81 BRD4 (0.78) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL12376644 0.81 BRD4 (0.57) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL12561624 0.80 BRD4 (0.71) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL1137531 0.79 BRD4 (0.70) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL2621674 0.79 BRD4 (0.74) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4991600 0.78 BRD4 (0.59) BRD4BRD2BRD3BRDTSMN1; SMN2

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 6 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-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (2 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 4102/4885BRD2 3344/4885BRD3 4182/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 BRD4 3330/4885BRD2 3753/4885BRD3 3327/4885

“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.