SCHEMBL212828

SCHEMBL212828

NC(=O)c1ccc(CNc2ccc3ncsc3c2)cc1-c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.44
IRAK4 Q9NWZ3 6/20 0.43
JAK3 P52333 2/20 0.43
KDR P35968 1/20 0.41
ROCK1 Q13464 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 4/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL5584469 0.80 IRAK4 (0.43) PDE4BIRAK4JAK3MEN1NPC1
SCHEMBL212827 0.76 PDE4B (0.39) PDE4BIRAK4JAK3NPC1RAB9A
SCHEMBL5790483 0.76 HSD17B10 (0.44) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL210666 0.75 HDAC1 (0.62) NPC1RAB9AHDAC1HDAC3
SCHEMBL11936086 0.73 KDR (0.48) IRAK4JAK3KDRROCK1MEN1
SCHEMBL24904477 0.73 KDR (0.62) KDRROCK1MEN1NPC1RAB9A
SCHEMBL28086793 0.73 NPC1 (0.46) IRAK4JAK3KDRROCK1MEN1
SCHEMBL212553 0.72 NPC1 (0.61) KDRMEN1NPC1RAB9AKMT2A
SCHEMBL2696488 0.71 IRAK4 (0.73) IRAK4JAK3
SCHEMBL5341775 0.70 BCAT2 (0.49) PDE4BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PDE4B 2728/4885IRAK4 3790/4885JAK3 2683/4885

“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.