SCHEMBL4014696

SCHEMBL4014696

CCN(CC)c1ncnc2ccc(-c3ccc4ncnc(Nc5ccc(N6CCOCC6)cc5)c4c3)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
HTT P42858 4/20 0.63
MAPK1 P28482 2/20 0.63
AHR P35869 1/20 0.63
PI4KB Q9UBF8 1/20 0.62
TTBK1 Q5TCY1 1/20 0.49
TTBK2 Q6IQ55 1/20 0.49
MAPKAPK2 P49137 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
EIF2AK2 P19525 1/20 0.47
ALDH1A1 P00352 8/20 0.46
BRAF P15056 1/20 0.46
EGFR P00533 1/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CYP1A2 P05177 7/20 0.44
CYP3A4 P08684 7/20 0.44

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
SCHEMBL4013688 0.89 MAPK1 (0.67) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4008515 0.88 MAPT (0.80) MAPTHTTMAPK1AHRPI4KB
SCHEMBL14026142 0.83 MAPK1 (0.72) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4007152 0.83 MAPK1 (0.72) MAPTHTTMAPK1AHRPI4KB
SCHEMBL5103599 0.82 MAPT (0.62) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4009789 0.81 MAPK1 (0.61) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4931410 0.80 MAPT (0.66) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4007243 0.80 CYP1A2 (0.67) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4758836 0.80 MAPT (0.60) MAPTHTTMAPK1AHRPI4KB
SCHEMBL4938676 0.80 MAPT (0.60) MAPTHTTMAPK1AHRPI4KB

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 MAPT 4840/4885HTT 2217/4885MAPK1 3003/4885

“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.