SCHEMBL4517690

SCHEMBL4517690

CCNC(=O)c1cccc(C)c1I

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.46
HPGD P15428 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CXCR2 P25025 1/20 0.45
BRD4 O60885 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 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
SCHEMBL28994972 0.84 TSHR (0.66) L3MBTL1HTTHPGDSMN1; SMN2NPC1
SCHEMBL13477779 0.82 ALDH1A1 (0.58) KMT2AL3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL4155532 0.82 KMT2A (0.50) KMT2AL3MBTL1HTTHPGDNPC1
SCHEMBL28995018 0.82 KMT2A (0.62) KMT2AL3MBTL1HTTHPGDKDM4E
SCHEMBL458942 0.82 HPGD (0.66) KMT2AL3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL4534798 0.80 PLK1 (0.50) KMT2AHTTHPGDSMN1; SMN2BRD4
SCHEMBL25078393 0.79 HTT (0.51) KMT2AL3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL15265662 0.79 HPGD (0.46) KMT2AL3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL12164009 0.79 HPGD (0.46) KMT2AL3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL13841435 0.79 TAS1R3 (0.50) KMT2AL3MBTL1HTTHPGDSMN1; SMN2

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 5 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
CN-101056865-A Aminoquinazolines compounds HOFFMANN LA ROCHE (CH) 2007-10-17 CN 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 2013/4885L3MBTL1 4442/4885HTT 2458/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 KMT2A 2013/4885L3MBTL1 4442/4885HTT 2458/4885

“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.