SCHEMBL13675520

SCHEMBL13675520

CN(C)CCCCCOc1cccc(-c2ccnc(Nc3ccccc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
JAK2 O60674 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
KIT P10721 1/20 0.49
IKBKB O14920 1/20 0.49
PIK3CG P48736 4/20 0.48
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CDK5 Q00535 1/20 0.48
KMT2A Q03164 1/20 0.48
CDK5R1 Q15078 1/20 0.48
ABL1 P00519 3/20 0.48
EGFR P00533 2/20 0.48
PRKCA P17252 2/20 0.48
PRKCD Q05655 2/20 0.48
BCR P11274 2/20 0.48
SRC P12931 1/20 0.48

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
SCHEMBL27116705 0.80 PIK3CG (0.73) PIK3CGPIK3CAPIK3CBMEN1NPC1
SCHEMBL7470899 0.77 ABL1 (0.67) JAK2HDAC6KITIKBKBABL1
SCHEMBL10673940 0.77 LSS (0.64) HDAC1KMT2A
SCHEMBL10683207 0.77 LSS (0.64) HDAC1KMT2A
SCHEMBL10681630 0.77 LSS (0.64) HDAC1KMT2A
SCHEMBL11018683 0.77 LSS (0.64) HDAC1KMT2A
SCHEMBL10671437 0.77 LSS (0.64) HDAC1KMT2A
SCHEMBL10676854 0.77 LSS (0.64) HDAC1KMT2A
SCHEMBL12275887 0.76 IKBKB (0.60) JAK2KITIKBKBPIK3CGPIK3CA
SCHEMBL4703487 0.75 MEN1 (0.53) HDAC1MEN1KMT2A

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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 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-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD HDAC1 2698/4885JAK2 692/4885HDAC6 2952/4885

“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.