SCHEMBL3983065

SCHEMBL3983065

[CH2]CC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.65
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
APP P05067 1/20 0.59
HCAR3 P49019 1/20 0.59
HCAR2 Q8TDS4 1/20 0.59
PLOD3 O60568 1/20 0.57
PLOD1 Q02809 1/20 0.57
F7 P08709 1/20 0.57
F3 P13726 1/20 0.57
SARM1 Q6SZW1 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
SIRT6 Q8N6T7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
SIRT3 Q9NTG7 1/20 0.57
SIRT5 Q9NXA8 1/20 0.57
SIRT4 Q9Y6E7 1/20 0.57
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL16703059 0.85 PLOD2 (0.61) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL7075878 0.83 PLOD2 (0.69) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL10320930 0.83 PLOD2 (0.89) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL29554726 0.83 PLOD2 (0.89) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL8572804 0.82 HDAC1 (0.63) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL6440012 0.82 PLOD2 (0.67) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL6745563 0.80 HDAC1 (0.66) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL196842 0.80 PLOD2 (0.65) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL905439 0.80 PLOD2 (0.65) PLOD2ALDH1A1GAAAPPHCAR3
SCHEMBL2296114 0.80 PLOD2 (0.65) PLOD2ALDH1A1GAAAPPHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025799-A1 PYRIDAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO disclosed
US-20080058339-A1 New compounds BIOVITRUM (SE) 2008-03-06 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
CN-1235870-C Novel use of phenyl hetero alkylamine derivatives ASTRAZENECA AB (SE) 2006-01-11 CN disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
CN-1411435-A Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-16 CN 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-20080058339-A1 New compounds GPR119, GPR180, GPR139 PLOD2 2770/4885ALDH1A1 1149/4885GAA 2210/4885
US-20080103141-A1 New compounds GPR119, GPR3, GPR4 PLOD2 4154/4885ALDH1A1 1823/4885GAA 3031/4885
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 PLOD2 4580/4885ALDH1A1 3901/4885GAA 1477/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 PLOD2 4074/4885ALDH1A1 1431/4885GAA 2918/4885

“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.