SCHEMBL3022784

SCHEMBL3022784

COc1ccc2ncc(=O)n(-c3nc4c(s3)CC(N)CC4)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
CYP1A2 P05177 8/20 0.33
ALDH1A1 P00352 6/20 0.33
CLK4 Q9HAZ1 5/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 3/20 0.32
USP2 O75604 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C19 P33261 3/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
LMNA P02545 2/20 0.31
PDE10A Q9Y233 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C9 P11712 2/20 0.31
PIK3CA P42336 1/20 0.31
FLT3 P36888 3/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3018419 0.84 KCNH2 (0.37) KCNH2LMNAMAPTTHRB
SCHEMBL3724333 0.82 CYP1A2 (0.35) KCNH2CYP1A2ALDH1A1CLK4TSHR
SCHEMBL3724335 0.80 CYP1A2 (0.34) KCNH2CYP1A2ALDH1A1CLK4TSHR
SCHEMBL3666168 0.80 CYP1A2 (0.37) KCNH2CYP1A2ALDH1A1CLK4TSHR
Hydrochloric Acid SCHEMBL3023561 0.79 CYP1A2 (0.37) KCNH2CYP1A2ALDH1A1CLK4TSHR
SCHEMBL3027110 0.77 CYP1A2 (0.37) KCNH2CYP1A2ALDH1A1CLK4TSHR
SCHEMBL3016352 0.75 KCNH2 (0.49) KCNH2
Hydrochloric Acid SCHEMBL3019094 0.75 KCNH2 (0.48) KCNH2
SCHEMBL19691761 0.69 CYP1A2 (0.58) CYP1A2ALDH1A1CLK4TSHRCYP3A4
SCHEMBL19691758 0.69 CYP1A2 (0.58) CYP1A2ALDH1A1CLK4TSHRCYP3A4

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 1494/4885ALDH1A1 4306/4885

“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.