SCHEMBL6741898

SCHEMBL6741898

Cc1nc(C)c(Cl)c(NCc2ccc(Oc3ccc4ncc([N+](=O)[O-])n4n3)c(O)c2)n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
FYN P06241 5/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PDE5A O76074 2/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
IKBKB O14920 1/20 0.30
S1PR4 O95977 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30

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
SCHEMBL6741815 0.94 FYN (0.36) TSHRFYNALDH1A1GAAPDE5A
SCHEMBL6742027 0.92 TSHR (0.35) TSHRFYNALDH1A1GAAPDE5A
SCHEMBL6739659 0.91 TSHR (0.43) TSHRFYNGAAPDE5AS1PR4
SCHEMBL6745669 0.91 TSHR (0.43) TSHRFYNGAAPDE5AS1PR4
SCHEMBL6739562 0.91 CHRM4 (0.37) TSHRFYNALDH1A1GAAPDE5A
SCHEMBL6745519 0.90 APP (0.36) TSHRALDH1A1GAAPDE5A
SCHEMBL6740758 0.88 KDM4E (0.36) ALDH1A1GAA
SCHEMBL6740895 0.88 TSHR (0.34) TSHRALDH1A1GAAPDE5A
SCHEMBL6741029 0.88 TSHR (0.34) TSHRALDH1A1GAAPDE5A
SCHEMBL6846143 0.87 ALDH1A1 (0.33) TSHRALDH1A1GAA

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 TSHR 2503/4885FYN 3430/4885ALDH1A1 355/4885

“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.