SCHEMBL385043

SCHEMBL385043

CC(C)CCOc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
HTT P42858 2/20 0.54
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.53
GAA P10253 1/20 0.53
ATM Q13315 1/20 0.53
IDO1 P14902 1/20 0.48
RAB9A P51151 4/20 0.47
LMNA P02545 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 1/20 0.47
TLR8 Q9NR97 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL17286609 0.91 HTR7 (0.56) HTR7HTTKMT2ASMN1; SMN2MEN1
SCHEMBL27490530 0.87 HTR7 (0.49) HTR7HTTKMT2ASMN1; SMN2MEN1
1,2-Diisopentoxybenzene SCHEMBL2843498 0.86 HTT (0.62) HTTSMN1; SMN2GAAIDO1LMNA
SCHEMBL10798879 0.81 HTR7 (0.67) HTR7HTTKMT2ASMN1; SMN2MEN1
SCHEMBL6468101 0.80 KMT2A (0.59) HTR7KMT2ASMN1; SMN2MEN1GAA
SCHEMBL29671577 0.80 KMT2A (0.59) HTR7KMT2ASMN1; SMN2MEN1GAA
SCHEMBL701534 0.79 HTR7 (0.64) HTR7HTTKMT2ASMN1; SMN2MEN1
SCHEMBL2344935 0.79 HTR7 (0.64) HTR7HTTKMT2ASMN1; SMN2MEN1
SCHEMBL7805121 0.79 HTR7 (0.51) HTR7HTTKMT2ASMN1; SMN2MEN1
1-Isopentoxy-2-Ethoxybenzene SCHEMBL2844377 0.78 L3MBTL1 (0.56) HTTATMIDO1RAB9ALMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074114-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2013-03-06 EP disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8324231-B2 Pyrimidinones as casein kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-12-04 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
US-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
CN-102317281-A Pyrimidinones as Casein Hormone II (CK2) Modulators EXELIXIS INC 2012-01-11 CN disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
US-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. (US) 2010-06-10 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators EXELIXIS, INC. 2009-08-27 US disclosed
EP-2074114-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008143759-A1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2008-11-27 WO disclosed
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO 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-20100144770-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK2A2, CSNK1A1 HTR7 2362/4885HTT 4026/4885KMT2A 836/4885
US-20090215803-A1 Pyrimidinones as Casein Kinase II (CK2) Modulators CSNK2A1, CSNK1A1, CSNK2A2 HTR7 2879/4885HTT 3937/4885KMT2A 686/4885

“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.