SCHEMBL6740546

SCHEMBL6740546

Cc1nc(C)c(Cl)c(NCc2cccc(O)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
CDK1 P06493 3/20 0.43
CCNB2 O95067 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC2A4 P14672 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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 0.86 HSD17B10 (0.37) ESR1LMNAKMT2AEGFRHSD17B10
SCHEMBL6743052 0.83 ESR1 (0.49) ESR1ALOX15MAPK1KDM4EKMT2A
SCHEMBL6740970 0.81 ALPL (0.43) ESR1KMT2AEGFRHSD17B10
SCHEMBL6740580 0.80 BCHE (0.51) PKMMAPK1KDM4EKMT2AMAPT
SCHEMBL6746130 0.79 ALPL (0.42) KMT2AEGFRHSD17B10
SCHEMBL18303504 0.78 ESR1 (0.53) ESR1CDK1CCNB2CCNB1CCNB3
SCHEMBL6744001 0.78 CALM1 (0.40) CDK1MAPK1LMNAKDM4EKMT2A
SCHEMBL6743539 0.77 CCNB2 (0.47) CDK1CCNB2CCNB1CCNB3CYP1A2
SCHEMBL6739651 0.77 KMT2A (0.47) ALOX15MAPK1KDM4EKMT2AMAPT
SCHEMBL6742123 0.76 BCDIN3D (0.37) ESR1EGFR

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 1803/4885CDK1 1269/4885CCNB2 1020/4885

“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.