SCHEMBL4014545

SCHEMBL4014545

CN(C)C=Nc1ccc(-c2ccc(N=CN(C)C)c(C#N)c2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
LMNA P02545 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RCE1 Q9Y256 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL4014542 1.00 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL14191690 1.00 GAA (0.44) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL14026154 0.92 MAOB (0.40) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL13811406 0.91 GAA (0.38) GAAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL1825181 0.90 GAA (0.38) GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL1825179 0.90 GAA (0.38) GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL1824390 0.87 PKM (0.48) GAAALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL1824392 0.87 PKM (0.48) GAAALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL1822296 0.86 KMT2A (0.39) GAAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1822298 0.86 KMT2A (0.39) GAAMAPTALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844004-B1 QUINAZOLINE DERIVATES AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2009-06-24 EP disclosed
US-20080114008-A1 Quinazoline Derivatives as Antiviral Agents ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 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 (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-20080114008-A1 Quinazoline Derivatives as Antiviral Agents IFNAR1, C5, EIF2AK2 GAA 2208/4885MAPT 4840/4885ALDH1A1 757/4885

“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.