SCHEMBL6746130

SCHEMBL6746130

Cc1nc(C)c(Cl)c(NCc2ccc(O)c(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
PLAA Q9Y263 1/20 0.42
CHRM4 P08173 3/20 0.40
MT-CO2 P00403 3/20 0.38
PI4KB Q9UBF8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TOP1 P11387 1/20 0.36
EGFR P00533 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6740970 0.87 ALPL (0.43) ALPLALPGPLAAHSD17B10EGFR
SCHEMBL6739651 0.82 KMT2A (0.47) HSD17B10KMT2A
SCHEMBL6740772 0.82 CHRM4 (0.56) CHRM4
SCHEMBL6743861 0.81 TSHR (0.39) ALPLALPGPLAACHRM4HSD17B10
SCHEMBL6743052 0.81 ESR1 (0.49) HSD17B10KMT2A
SCHEMBL6743539 0.80 CCNB2 (0.47) CHRM4KMT2A
SCHEMBL6742507 0.79 MAPT (0.36) ALPLALPGPLAAHSD17B10KMT2A
SCHEMBL6740546 0.79 ESR1 (0.45) HSD17B10EGFRKMT2A
SCHEMBL6744013 0.78 HSD17B10 (0.37) CHRM4HSD17B10EGFRKMT2A
SCHEMBL6741864 0.78 ALDH1A1 (0.42) ALPLALPGPLAAHSD17B10KMT2A

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 ALPL 3389/4885ALPG 2655/4885PLAA 4320/4885

“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.