SCHEMBL2953219

SCHEMBL2953219

CCNC(=O)c1ccc(Nc2nc(NC3CCCCC3)c3ncnc-3[nH]2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
S1PR1 P21453 9/20 0.35
S1PR5 Q9H228 1/20 0.35
JAK3 P52333 1/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
EGFR P00533 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
CNR1 P21554 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA1 P30542 2/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 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
SCHEMBL3698297 0.75 ALK (0.56)
SCHEMBL4769063 0.75 ADORA3 (0.45) ALOX15ADORA2AADORA3ADORA1AXL
SCHEMBL3708535 0.75 TTK (0.47) JAK3ADORA3
SCHEMBL3710563 0.73 KDM4E (0.38) ALOX15
SCHEMBL3700038 0.72 KHK (0.35) S1PR1S1PR5MAPK13MAPK12MAPK11
SCHEMBL3699602 0.72 PDE4B (0.36) ALOX15JAK3ADORA3
SCHEMBL2955230 0.71 KHK (0.37) S1PR1S1PR5MAPK13MAPK12MAPK11
SCHEMBL2949146 0.71 AXL (0.34) S1PR1S1PR5MAPK13MAPK12MAPK11
SCHEMBL2952945 0.70 MAP3K14 (0.35) S1PR1S1PR5MAPK13MAPK12MAPK11
SCHEMBL3705032 0.69 EGFR (0.38) EGFRADORA2AADORA2BADORA3ADORA1

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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALOX15 371/4885S1PR1 1122/4885S1PR5 463/4885

“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.