SCHEMBL6741858

SCHEMBL6741858

COc1cc(CNc2nc(C)nc(C)c2Cl)cc(Br)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
MAPT P10636 7/20 0.59
ALDH1A1 P00352 7/20 0.59
GAA P10253 5/20 0.59
KDM4E B2RXH2 2/20 0.59
BLM P54132 2/20 0.59
THRB P10828 2/20 0.59
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
ALOX12 P18054 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLEC Q15149 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL6742318 0.84 MRGPRX1 (0.52) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL6739846 0.84 SMN1; SMN2 (0.56) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL6739468 0.79 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL6740580 0.77 BCHE (0.51) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL15685008 0.77 F2 (0.51) KMT2AMEN1MAPTGAABLM
SCHEMBL6876858 0.76 GCK (0.38) MAPTALDH1A1KDM4ETDP1MAPK1
Hydrochloric Acid SCHEMBL6741069 0.76 F2 (0.50) KMT2AMEN1MAPTGAABLM
SCHEMBL6742495 0.74 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL6874445 0.74 METAP1 (0.34) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL6882105 0.74 GCK (0.41) KMT2AMEN1MAPTALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 693/4885MEN1 2577/4885MAPT 4405/4885

“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.