SCHEMBL3559987

SCHEMBL3559987

CCOC(=O)c1nc(CN)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
CACNA1F O60840 2/20 0.40
CACNA1D Q01668 2/20 0.40
CACNA1S Q13698 2/20 0.40
CACNA1C Q13936 2/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 1/20 0.36
CA1 P00915 1/20 0.36

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
Hydrochloric Acid SCHEMBL4493041 0.98 HTT (0.48) HTTCACNA1FCACNA1DCACNA1SCACNA1C
Hydrochloric Acid SCHEMBL3559985 0.98 HTT (0.48) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9461101 0.88 HTT (0.50) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2254343 0.85 HTT (0.48) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL991667 0.83 HTT (0.47) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9608842 0.83 HTT (0.50) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL15932331 0.82 HTT (0.46) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7400591 0.80 HTT (0.52) HTTCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL553588 0.77 KLKB1 (0.49) HTTCYP1A2ALDH1A1HPGDKDM4E
SCHEMBL15284739 0.77 HTT (0.50) HTTCACNA1FCACNA1DCACNA1SCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718679-B2 Heteroaryl carboxamides HOFFMAN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-7622464-B2 Morpholinyl-urea derivatives for use in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1487828-B1 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LTD (GB) 2008-11-05 EP disclosed
WO-2008049747-A1 NOVEL HETEROARYL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-02 WO disclosed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
US-20060063765-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-03-23 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-20080103143-A1 NOVEL HETEROARYL CARBOXAMIDES F12, F11, F2 HTT 3572/4885CACNA1F 1226/4885CACNA1D 1129/4885
US-20060063765-A1 Novel compounds CCR3, NSUN3, CCR1 HTT 3669/4885CACNA1F 2874/4885CACNA1D 3693/4885

“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.