SCHEMBL1822296

SCHEMBL1822296

CN(C)/C=N\c1ccc(-c2ccc(Cl)c(F)c2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CYP11B2 P19099 11/20 0.36
CYP11B1 P15538 8/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1822298 1.00 KMT2A (0.39) KMT2ACYP11B2CYP11B1ESR1ESR2
SCHEMBL1825179 0.88 GAA (0.38) CYP11B2CYP11B1ESR1ESR2GAA
SCHEMBL1825181 0.88 GAA (0.38) CYP11B2CYP11B1ESR1ESR2GAA
SCHEMBL14191690 0.86 GAA (0.44) KMT2AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL4014545 0.86 GAA (0.44) KMT2AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL4014542 0.86 GAA (0.44) KMT2AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL1823296 0.82 XDH (0.39) CYP11B2CYP11B1MAPTALDH1A1
SCHEMBL1823294 0.82 XDH (0.39) CYP11B2CYP11B1MAPTALDH1A1
SCHEMBL1825369 0.80 CYP11B1 (0.41) CYP11B2CYP11B1GAAALDH1A1
SCHEMBL1825370 0.80 CYP11B1 (0.41) CYP11B2CYP11B1GAAALDH1A1

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 KMT2A 3712/4885CYP11B2 1250/4885CYP11B1 1687/4885

“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.