SCHEMBL6741017

SCHEMBL6741017

COc1cc(CNc2nc(C)nc(C)c2Cl)cc(Oc2ccc3ncc([N+](=O)[O-])n3n2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE5A O76074 3/20 0.36
GFER P55789 1/20 0.36
ABCB1 P08183 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.34
FYN P06241 2/20 0.34
PLK1 P53350 1/20 0.34
S1PR4 O95977 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
SCHEMBL6744173 0.95 GAA (0.39) GAALMNAMAPK1SMN1; SMN2PDE5A
SCHEMBL6739835 0.93 STAT3 (0.39) GAALMNAMAPK1SMN1; SMN2PDE5A
SCHEMBL6741165 0.92 GAA (0.37) GAALMNAMAPK1SMN1; SMN2PDE5A
SCHEMBL6745669 0.91 TSHR (0.43) GAALMNAMAPK1SMN1; SMN2PDE5A
SCHEMBL6739659 0.91 TSHR (0.43) GAALMNAMAPK1SMN1; SMN2PDE5A
SCHEMBL6741846 0.87 ALDH1A1 (0.40) GAALMNAMAPK1SMN1; SMN2TSHR
SCHEMBL6885666 0.87 LMNA (0.31) GAALMNAMAPK1SMN1; SMN2S1PR4
SCHEMBL6741815 0.87 FYN (0.36) GAAPDE5ATSHRFYN
SCHEMBL6742027 0.86 TSHR (0.35) GAAPDE5ATSHRFYNS1PR4
SCHEMBL6745519 0.86 APP (0.36) GAALMNASMN1; SMN2PDE5ATSHR

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
US-6818642-B2 CAMPYLOBACTER INFECTION TREATMENT ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040152714-A1 Benzylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-05 US disclosed
EP-1395594-A1 NEW BENZYLAMINOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-03-10 EP disclosed
WO-2002094832-A1 NEW BENZYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 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-20040152714-A1 Benzylaminopyrimidines DPYD, PGLS, TPMT GAA 537/4885LMNA 4585/4885MAPK1 1491/4885

“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.