SCHEMBL12376698

SCHEMBL12376698

Cc1noc(C)c1C(=O)NC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ALDH1A1 P00352 7/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 1/20 0.52
AGTR1 P30556 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
CYP1A2 P05177 1/20 0.51
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 3/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 4/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
CYP2C9 P11712 1/20 0.46

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
SCHEMBL9729578 0.79 LMNA (0.55) POLBALDH1A1GAAKDM4EL3MBTL1
SCHEMBL353328 0.79 ALDH1A1 (0.56) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL21617368 0.77 GAA (0.55) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL9446213 0.76 LMNA (0.65) POLBALDH1A1GAAKDM4EL3MBTL1
SCHEMBL8018511 0.75 ALDH1A1 (0.45) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL14676577 0.75 HPGD (0.56) POLBALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL13101603 0.74 ALDH1A1 (0.51) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL353126 0.74 GAA (0.60) ALDH1A1GAAKDM4EMAPTAGTR1
SCHEMBL2407875 0.74 ALDH1A1 (0.52) POLBALDH1A1GAAKDM4EMAPT
SCHEMBL2408392 0.73 HDAC1 (0.58) POLBALDH1A1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 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-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 (5 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 POLB 3275/4885ALDH1A1 1635/4885GAA 1103/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK POLB 125/4885ALDH1A1 4754/4885GAA 2159/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 POLB 1523/4885ALDH1A1 1929/4885GAA 2295/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB POLB 145/4885ALDH1A1 4626/4885GAA 965/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 POLB 1221/4885ALDH1A1 1526/4885GAA 1099/4885

“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.