SCHEMBL3026655

SCHEMBL3026655

COc1ccc2ncc(=O)n(-c3cnc4c(c3)COCC4CNC(=O)O)c2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
CYP1A2 P05177 6/20 0.33
CLK4 Q9HAZ1 4/20 0.33
USP2 O75604 3/20 0.33
FLT3 P36888 6/20 0.33
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
HTR2C P28335 2/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
EGFR P00533 1/20 0.32
BLK P51451 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
SCHEMBL3022542 0.87 CYP1A2 (0.36) KCNH2CYP1A2CLK4USP2FLT3
SCHEMBL3016541 0.83 KCNH2 (0.50) KCNH2
Hydrochloric Acid SCHEMBL3027130 0.83 KCNH2 (0.49) KCNH2
SCHEMBL3666200 0.81 KCNH2 (0.34) KCNH2CYP1A2CLK4USP2FLT3
SCHEMBL3020131 0.79 KCNH2 (0.46) KCNH2
SCHEMBL3027712 0.79 CRBN (0.34) KCNH2
SCHEMBL3666949 0.79 KCNH2 (0.33) KCNH2
SCHEMBL3719019 0.79 KCNH2 (0.37) KCNH2
Hydrochloric Acid SCHEMBL3027143 0.79 CRBN (0.33) KCNH2
SCHEMBL3670290 0.79 KCNH2 (0.31) KCNH2

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-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US disclosed
EP-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH KCNH2 2445/4885CYP1A2 1494/4885CLK4 2446/4885

“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.