SCHEMBL4766802

SCHEMBL4766802

Cc1cc(CN2CCCCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 15/20 0.50
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MERTK Q12866 3/20 0.41
FLT3 P36888 2/20 0.41
TYRO3 Q06418 2/20 0.41
GAS6 Q14393 2/20 0.41
AXL P30530 1/20 0.40

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
SCHEMBL4764945 0.94 TTK (0.48) TTKADORA3ADORA1MERTKFLT3
SCHEMBL4766824 0.94 TTK (0.48) TTKADORA3ADORA1MERTKAXL
SCHEMBL4766540 0.93 TTK (0.57) TTKADORA3
SCHEMBL4975608 0.92 TTK (0.46) TTKADORA3ADORA1MERTKFLT3
SCHEMBL4972483 0.92 TTK (0.46) TTKADORA3ADORA1MERTKAXL
SCHEMBL4976863 0.90 TTK (0.47) TTKADORA3ADORA1MERTKAXL
SCHEMBL4766884 0.90 TTK (0.47) TTKADORA3ADORA1MERTKAXL
SCHEMBL4979267 0.88 TTK (0.51) TTKMERTKTYRO3AXL
SCHEMBL4975672 0.87 TTK (0.49) TTKADORA3ADORA1MERTKAXL
SCHEMBL4979254 0.85 TTK (0.58) TTKMERTKFLT3TYRO3GAS6

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
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
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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 TTK 4589/4885ADORA3 1744/4885ADORA1 2771/4885

“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.