SCHEMBL1823294

SCHEMBL1823294

COc1ccc(-c2ccc(/N=C\N(C)C)c(C#N)c2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ERN1 O75460 1/20 0.38
PKM P14618 1/20 0.38
NAAA Q02083 5/20 0.38
CYP17A1 P05093 1/20 0.37
FAAH O00519 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
KDM1A O60341 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
MAPT P10636 1/20 0.36
MGLL Q99685 1/20 0.35
GRM2 Q14416 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL1823296 1.00 XDH (0.39) XDHCYP11B1CYP11B2ERN1PKM
SCHEMBL1824390 0.89 PKM (0.48) XDHPKMIMPDH2IMPDH1KDM4E
SCHEMBL1824392 0.89 PKM (0.48) XDHPKMIMPDH2IMPDH1KDM4E
SCHEMBL1825370 0.87 CYP11B1 (0.41) XDHCYP11B1CYP11B2NAAAKDM1A
SCHEMBL1825369 0.87 CYP11B1 (0.41) XDHCYP11B1CYP11B2NAAAKDM1A
SCHEMBL1826560 0.87 AR (0.39) CYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL1826563 0.87 AR (0.39) CYP11B1CYP11B2GRIN1GRIN2B
SCHEMBL1825179 0.86 GAA (0.38) XDHCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL1825181 0.86 GAA (0.38) XDHCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL4014542 0.84 GAA (0.44) PKMMAPTKDM4EALDH1A1

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-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

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 XDH 14/4885CYP11B1 1687/4885CYP11B2 1250/4885

“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.