SCHEMBL4974707

SCHEMBL4974707

Cc1cc(-c2ccccn2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.47
ADORA3 P0DMS8 8/20 0.44
ADORA1 P30542 6/20 0.44
MERTK Q12866 4/20 0.43
AXL P30530 3/20 0.43
FLT3 P36888 2/20 0.43
TYRO3 Q06418 2/20 0.43
GAS6 Q14393 2/20 0.43
ADORA2A P29274 5/20 0.43
GPR39 O43194 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
SLC2A1 P11166 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4974114 0.91 TTK (0.46) TTKMERTKAXLFLT3TYRO3
SCHEMBL4976200 0.86 TTK (0.46) TTKADORA3ADORA1MERTKAXL
SCHEMBL4767300 0.84 TTK (0.44) TTKADORA3ADORA1MERTKAXL
SCHEMBL4975672 0.80 TTK (0.49) TTKADORA3ADORA1MERTKAXL
SCHEMBL10271078 0.80 TTK (0.49) TTKADORA3ADORA1MERTKAXL
SCHEMBL2956369 0.80 ALDH1A1 (0.44) TTKADORA3ADORA1MERTKAXL
SCHEMBL2951457 0.80 TTK (0.48) TTKADORA3ADORA1MERTKAXL
SCHEMBL4972462 0.80 TTK (0.48) TTKADORA3ADORA1MERTKAXL
SCHEMBL3697853 0.80 TTK (0.66) TTK
SCHEMBL4766994 0.78 TTK (0.44) TTKADORA3ADORA1MERTKAXL

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 1 patent. 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

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.