SCHEMBL3027110

SCHEMBL3027110

COc1ccc2ncc(=O)n(-c3cnc4c(c3)CCC(N)C4)c2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.37
ALDH1A1 P00352 6/20 0.37
CLK4 Q9HAZ1 5/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 3/20 0.37
FLT3 P36888 9/20 0.36
CYP3A4 P08684 3/20 0.36
USP2 O75604 3/20 0.36
KCNH2 Q12809 2/20 0.36
EGFR P00533 3/20 0.35
BLK P51451 1/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3020632 0.84 FLT3 (0.37) CYP1A2ALDH1A1CLK4TSHRCYP2C19
SCHEMBL3020637 0.84 FLT3 (0.37) CYP1A2ALDH1A1CLK4TSHRCYP2C19
SCHEMBL3020629 0.84 FLT3 (0.37) CYP1A2ALDH1A1CLK4TSHRCYP2C19
SCHEMBL3030115 0.84 KCNH2 (0.38) CYP1A2ALDH1A1CLK4TSHRCYP2C19
SCHEMBL3024181 0.82 KCNH2 (0.39) CYP1A2ALDH1A1CLK4TSHRCYP2C19
SCHEMBL3666168 0.82 CYP1A2 (0.37) CYP1A2ALDH1A1CLK4TSHRCYP2C19
Hydrochloric Acid SCHEMBL3023561 0.81 CYP1A2 (0.37) CYP1A2ALDH1A1CLK4TSHRCYP2C19
SCHEMBL13213628 0.77 KCNH2 (0.60) KCNH2
SCHEMBL3022784 0.77 KCNH2 (0.34) CYP1A2ALDH1A1CLK4TSHRCYP2C19
Hydrochloric Acid SCHEMBL3020232 0.77 KCNH2 (0.60) 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 CYP1A2 1494/4885ALDH1A1 4306/4885CLK4 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.