SCHEMBL6740895

SCHEMBL6740895

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CHRM4 P08173 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
PDE5A O76074 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
SCHEMBL6745669 0.91 TSHR (0.43) TSHRCHRM4GAAMEN1KMT2A
SCHEMBL6745519 0.90 APP (0.36) TSHRALDH1A1GAAPOLBMAPT
SCHEMBL6741029 0.90 TSHR (0.34) TSHRALDH1A1GAAPDE5A
SCHEMBL6739562 0.89 CHRM4 (0.37) TSHRCHRM4ALDH1A1GAAMEN1
SCHEMBL6739659 0.89 TSHR (0.43) TSHRCHRM4GAAMEN1KMT2A
SCHEMBL6742027 0.89 TSHR (0.35) TSHRCHRM4ALDH1A1GAAPDE5A
SCHEMBL6741015 0.89 DGAT2 (0.33) TSHRALDH1A1GAAPDE5A
SCHEMBL6741815 0.88 FYN (0.36) TSHRALDH1A1GAAPDE5A
SCHEMBL6741898 0.88 TSHR (0.34) TSHRALDH1A1GAAPDE5A
SCHEMBL6846143 0.87 ALDH1A1 (0.33) TSHRALDH1A1GAAMEN1POLB

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 2503/4885CHRM4 4860/4885ALDH1A1 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.