SCHEMBL811552

SCHEMBL811552

CCSc1ncc(C#N)c(/N=C\N(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.44
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 6/20 0.40
HTT P42858 4/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 4/20 0.38
ALDH1A1 P00352 9/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL811553 1.00 MBOAT4 (0.44) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL810829 0.83 ALDH1A1 (0.46) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL810828 0.83 ALDH1A1 (0.46) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL19851186 0.77 MBOAT4 (0.48) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL19837371 0.76 GAA (0.50) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL19844894 0.76 GAA (0.47) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL19837372 0.76 GAA (0.50) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL810568 0.74 GAA (0.44) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL810569 0.74 GAA (0.44) MBOAT4GAAMAPTKDM4EHSD17B10
SCHEMBL19837318 0.73 GAA (0.43) MBOAT4GAAMAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MBOAT4 2954/4885GAA 504/4885MAPT 1347/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MBOAT4 2954/4885GAA 504/4885MAPT 1347/4885

“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.