SCHEMBL12376733

SCHEMBL12376733

CC(C)(C)NC(=O)Nc1nccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
FDPS P14324 1/20 0.47
MAP3K7 O43318 2/20 0.47
MAP3K6 O95382 2/20 0.47
MAP3K5 Q99683 2/20 0.47
FGFR1 P11362 3/20 0.44
SRC P12931 3/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
EGFR P00533 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL13368513 0.86 DRD2 (0.47) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL4411955 0.80 FDPS (0.53) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL14440728 0.79 MAP3K7 (0.52) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL12410296 0.79 ABL1 (0.54) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL29119700 0.78 NPSR1 (0.49) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL21879269 0.78 HTT (0.47) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL7599559 0.78 FDPS (0.54) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL29825764 0.78 FDPS (0.54) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL7747379 0.77 DRD2 (0.48) KDM4EALDH1A1HPGDDRD2DRD4
SCHEMBL10854874 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDDRD2DRD4

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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 KDM4E 3968/4885ALDH1A1 1635/4885HPGD 1640/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 KDM4E 4855/4885ALDH1A1 1929/4885HPGD 842/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK KDM4E 3345/4885ALDH1A1 1744/4885HPGD 1144/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 KDM4E 4855/4885ALDH1A1 1929/4885HPGD 842/4885

“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.