SCHEMBL4769063

SCHEMBL4769063

CCNC(=O)c1ccc(Nc2nc(NC3CCCCC3)c3nc[nH]c3n2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.45
ADORA1 P30542 5/20 0.45
MERTK Q12866 3/20 0.39
AXL P30530 2/20 0.39
ALOX15 P16050 1/20 0.39
TTK P33981 9/20 0.39
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
ADORA2A P29274 4/20 0.38
FLT3 P36888 2/20 0.37
TYRO3 Q06418 2/20 0.37
GAS6 Q14393 2/20 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
SCHEMBL2955746 0.85 ALOX15 (0.49) ADORA3ADORA1MERTKAXLALOX15
SCHEMBL2946338 0.81 TTK (0.52) ADORA3TTK
SCHEMBL2951457 0.76 TTK (0.48) ADORA3ADORA1MERTKAXLTTK
SCHEMBL16013625 0.76 ADORA3 (0.44) ADORA3ADORA1TTKADORA2A
SCHEMBL4975672 0.75 TTK (0.49) ADORA3ADORA1MERTKAXLTTK
SCHEMBL4767624 0.75 TTK (0.63) TTK
SCHEMBL2953219 0.75 ALOX15 (0.39) ADORA3ADORA1MERTKAXLALOX15
SCHEMBL2956268 0.74 TTK (0.52) TTKCLK1CLK2
SCHEMBL3041055 0.74 TTK (0.61) ADORA3TTK
SCHEMBL31060929 0.74 ADORA3 (0.68) ADORA3ADORA1MERTKAXLADORA2A

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 ADORA3 1744/4885ADORA1 2771/4885MERTK 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.