SCHEMBL6743052

SCHEMBL6743052

Cc1nc(C)c(Cl)c(NCc2ccc(O)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPK1 P28482 2/20 0.45
CASP1 P29466 2/20 0.45
BLM P54132 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
THRB P10828 1/20 0.45
PLEC Q15149 1/20 0.45
APAF1 O14727 1/20 0.41

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
SCHEMBL6744013 0.85 HSD17B10 (0.37) ESR1HSD17B10KMT2A
SCHEMBL6740546 0.83 ESR1 (0.45) ESR1HSD17B10KMT2AALDH1A1MAPT
SCHEMBL6740970 0.83 ALPL (0.43) ESR1HSD17B10KMT2A
SCHEMBL6746130 0.81 ALPL (0.42) HSD17B10KMT2A
SCHEMBL6882948 0.80 TSHR (0.38) ESR1HSD17B10KMT2AMEN1ALDH1A1
Bromide SCHEMBL6876839 0.79 TSHR (0.37) ESR1HSD17B10KMT2AMEN1ALDH1A1
SCHEMBL15685008 0.79 F2 (0.51) KMT2AMEN1GAAMAPTMAPK1
SCHEMBL6743539 0.79 CCNB2 (0.47) KMT2AMEN1GAAALOX15MAPK1
SCHEMBL6739651 0.79 KMT2A (0.47) HSD17B10KMT2AMEN1ALDH1A1POLB
SCHEMBL6742123 0.78 BCDIN3D (0.37) ESR1HPGD

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 ESR1 1803/4885HSD17B10 1494/4885KMT2A 693/4885

“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.