SCHEMBL810299

SCHEMBL810299

CN(C)C=Nc1ncncc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 10/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 8/20 0.40
LMNA P02545 6/20 0.40
HSD17B10 Q99714 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HTT P42858 3/20 0.40
ALOX15 P16050 3/20 0.40
MAPK1 P28482 2/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
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

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
SCHEMBL19851206 1.00 GAA (0.49) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810298 1.00 GAA (0.49) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19851186 0.76 MBOAT4 (0.48) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19844894 0.75 GAA (0.47) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19837372 0.75 GAA (0.50) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19837371 0.75 GAA (0.50) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL19837318 0.75 GAA (0.43) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810255 0.74 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810254 0.74 GAA (0.45) GAAMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL810568 0.73 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2KDM4E

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 6 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
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US 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 (1 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 GAA 504/4885MAPT 1347/4885ALDH1A1 2723/4885

“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.