SCHEMBL5437606

SCHEMBL5437606

NC(=O)Nc1ncnc2[nH]cnc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
BRD4 O60885 6/20 0.37
PARP1 P09874 1/20 0.37
BRAF P15056 2/20 0.35
GDA Q9Y2T3 1/20 0.35
EGFR P00533 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NT5C2 P49902 2/20 0.34
TOP2A P11388 1/20 0.33
XDH P47989 1/20 0.33
NT5E P21589 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C2 P08235 1/20 0.32

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
SCHEMBL22118770 0.86 BRD4 (0.40) MKNK1BRD4PARP1BRAFEGFR
SCHEMBL29654971 0.86 BRD4 (0.40) MKNK1BRD4PARP1BRAFEGFR
SCHEMBL536914 0.84 BRAF (0.47) MKNK1BRD4BRAFGDANPC1
SCHEMBL17778780 0.80 XDH (0.42) BRD4BRAFEGFRNPC1RAB9A
SCHEMBL67930 0.80 JAK3 (0.39) EGFR
SCHEMBL19699540 0.80 GSK3B (0.38) BRD4BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL8884122 0.80 L3MBTL1 (0.38) BRD4BRAFNPC1RAB9ASMN1; SMN2
SCHEMBL1369225 0.79 XDH (0.41) MKNK1BRD4PARP1BRAFNT5C2
SCHEMBL18259658 0.78 TP53 (0.41) MKNK1BRD4PARP1GDASMN1; SMN2
SCHEMBL19735835 0.78 BRD4 (0.33) MKNK1BRD4BRAFNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7183319-B2 Phenylethylamine derivatives and their use in the treatment of melanoma RILEY PATRICK ANTHONY 2007-02-27 US disclosed
US-20040029967-A1 Phenylethylamine derivatives and their use in the treatment of melanoma RILEY PATRICK ANTHONY (GB) 2004-02-12 US disclosed
EP-1303481-A1 PHENYLETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MELANOMA Riley, Patrick Anthony (GB) 2003-04-23 EP disclosed
WO-2002008174-A1 PHENYLETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MELANOMA RILEY PATRICK ANTHONY (GB) 2002-01-31 WO disclosed
WO-1994006438-A1 ADENOSINE ANALOGUES AND METHOD OF INCREASING ADENOSINE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-03-31 WO disclosed
US-4038480-A HYPOTENSIVE AGENTS;INCREASE CARDIAC OUTPUT;ENZYME ACTIVATORS ICN PHARMACEUTICALS, INC. (US) 1977-07-26 US 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-20040029967-A1 Phenylethylamine derivatives and their use in the treatment of melanoma DOHH, DBH, HRH4 MKNK1 4301/4885BRD4 1268/4885PARP1 2396/4885

“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.