SCHEMBL4559654

SCHEMBL4559654

CCCN(C)C(=O)c1cccc(C)c1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
CRHR1 P34998 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 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
SCHEMBL2228382 0.83 KMT2A (0.63) KMT2ATP53TDP1HSP90AA1TSHR
SCHEMBL4528516 0.80 KMT2A (0.50) KMT2ATDP1TSHRMAPK1HPGD
SCHEMBL5127220 0.77 TP53 (0.59) KMT2ATP53TDP1TSHRHPGD
SCHEMBL10330507 0.74 KMT2A (0.59) KMT2ATP53HSP90AA1TSHRMAPK1
SCHEMBL10330500 0.73 KMT2A (0.58) KMT2ATP53HSP90AA1TSHRMAPK1
SCHEMBL6371222 0.72 TP53 (0.53) KMT2ATP53TSHRHPGDALDH1A1
SCHEMBL15108850 0.72 KMT2A (0.61) KMT2ATP53TDP1HSP90AA1TSHR
SCHEMBL26730051 0.72 HCAR3 (0.46) KMT2ATDP1TSHRHSD17B10CYP1A2
SCHEMBL350506 0.72 ALDH1A1 (0.63) KMT2ATDP1TSHRHPGDALDH1A1
SCHEMBL1006489 0.71 NAMPT (0.54) KMT2ATP53HDAC6HPGDALDH1A1

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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 KMT2A 2013/4885TP53 2145/4885TDP1 1013/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KMT2A 2013/4885TP53 2145/4885TDP1 1013/4885

“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.