SCHEMBL2955746

SCHEMBL2955746

CCNC(=O)c1ccc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.49
AXL P30530 1/20 0.46
MERTK Q12866 1/20 0.46
TTK P33981 9/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 1/20 0.45
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
PLK2 Q9NYY3 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
MAPK14 Q16539 2/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2951457 0.88 TTK (0.48) AXLMERTKTTKADORA3ADORA1
SCHEMBL2953044 0.87 MERTK (0.42) AXLMERTKTTKADORA3ADORA1
SCHEMBL2956369 0.86 ALDH1A1 (0.44) AXLMERTKTTKADORA3ADORA1
SCHEMBL4769063 0.85 ADORA3 (0.45) ALOX15AXLMERTKTTKADORA3
SCHEMBL2951201 0.85 MERTK (0.41) AXLMERTKTTKADORA3ADORA1
SCHEMBL2953399 0.84 TYRO3 (0.53) AXLMERTK
SCHEMBL2947179 0.83 TTK (0.50) AXLMERTKTTKLRRK2AURKA
SCHEMBL4975672 0.82 TTK (0.49) AXLMERTKTTKADORA3ADORA1
SCHEMBL4766549 0.82 TTK (0.58) TTKLRRK2
SCHEMBL2946205 0.81 MERTK (0.48) AXLMERTKTTKADORA3ADORA1

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 3 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
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 371/4885AXL 2976/4885MERTK 1662/4885

“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.