SCHEMBL1823364

SCHEMBL1823364

c1nc(Nc2ccc(-n3cncn3)cc2)c2cc(-c3ccc(N4CCOCC4)cc3)ccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
MAPK1 P28482 3/20 0.64
AHR P35869 1/20 0.64
HTT P42858 1/20 0.64
PI4KB Q9UBF8 1/20 0.61
MAPKAPK2 P49137 1/20 0.52
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
MAP4K4 O95819 1/20 0.48
IRAK4 Q9NWZ3 3/20 0.46
EIF2AK2 P19525 1/20 0.46
RAF1 P04049 2/20 0.45
BRAF P15056 1/20 0.45
CD38 P28907 2/20 0.45
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
CYP1A2 P05177 3/20 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
SCHEMBL4008515 0.89 MAPT (0.80) MAPTMAPK1AHRHTTPI4KB
SCHEMBL13292198 0.86 BRAF (0.59) MAPTMAPK1MAP4K4RAF1BRAF
SCHEMBL14026142 0.86 MAPK1 (0.72) MAPTMAPK1AHRHTTPI4KB
SCHEMBL1823186 0.84 PIK3CA (0.61) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4007152 0.83 MAPK1 (0.72) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4886107 0.82 MAPT (0.67) MAPTMAPK1AHRHTTPI4KB
SCHEMBL1824255 0.82 EGFR (0.50) MAPTMAPK1MAP4K4RAF1BRAF
SCHEMBL1823919 0.81 SRC (0.52) MAPTMAP4K4IRAK4BRAFALDH1A1
SCHEMBL4885395 0.80 MAPK1 (0.64) MAPTMAPK1AHRHTTPI4KB
SCHEMBL4884731 0.80 MAPK1 (0.64) MAPTMAPK1AHRHTTPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981876-B1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LTD (GB) 2011-05-04 EP disclosed
US-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
EP-1981876-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS Arrow Therapeutics Limited (GB) 2008-10-22 EP disclosed
WO-2007080401-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS ARROW THERAPEUTICS LIMITED (GB) 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-20100158863-A1 TRIAZOLOANILINOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS SLC28A1, TPMT, ACE MAPT 2681/4885MAPK1 1528/4885AHR 4533/4885

“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.