SCHEMBL3699602

SCHEMBL3699602

Cc1nc(C#CCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2ncnc-2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
TTK P33981 12/20 0.35
CSF1R P07333 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CB P42338 1/20 0.32
MAPK8 P45983 1/20 0.32
PTK2 Q05397 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
MEN1 O00255 1/20 0.32
AURKA O14965 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 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
SCHEMBL3039780 0.87 TTK (0.41) PDE4BPDE7ATTKCSF1RTDP1
SCHEMBL3713748 0.85 TTK (0.43) TTKPIK3CBMAPK8PTK2
SCHEMBL3710563 0.83 KDM4E (0.38) TTKCSF1RTDP1KDM4EALDH1A1
SCHEMBL3708535 0.82 TTK (0.47) TTKTDP1PIK3CBMAPK8PTK2
SCHEMBL3034434 0.81 EGFR (0.37) TTK
SCHEMBL2955349 0.80 TTK (0.43) TTKCSF1R
SCHEMBL3702644 0.78 TTK (0.47) TTKTDP1PIK3CBMAPK8PTK2
SCHEMBL3037938 0.77 TTK (0.37) TTKCSF1RMEN1KMT2A
SCHEMBL2949159 0.77 EGFR (0.42) TTKCSF1R
SCHEMBL3704351 0.77 FLT3 (0.34) TTKAURKAAURKB

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 PDE4B 819/4885PDE7A 2538/4885TTK 4589/4885

“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.