SCHEMBL6925166

SCHEMBL6925166

CC(C)c1coc2c(C#N)cnc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
CSNK1A1 P48729 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
KDM5A P29375 1/20 0.33
RET P07949 1/20 0.31
PIK3CD O00329 2/20 0.31
ABL1 P00519 2/20 0.31
EGFR P00533 2/20 0.31
HCK P08631 2/20 0.31
SRC P12931 2/20 0.31
KDR P35968 2/20 0.31
PIK3CA P42336 2/20 0.31
PIK3CB P42338 2/20 0.31
MTOR P42345 2/20 0.31
PIK3CG P48736 2/20 0.31
EPHB4 P54760 2/20 0.31
PRKDC P78527 2/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10261073 0.80 CSNK1A1 (0.38) CSNK1A1CLK4RETALDH1A1KMT2A
SCHEMBL16386312 0.80 LRRK2 (0.33) KDM5AEGFR
SCHEMBL6926808 0.78 NOS3 (0.36) P2RX3P2RX2ALDH1A1
SCHEMBL6928039 0.77 MET (0.33) P2RX3P2RX2RET
SCHEMBL6927413 0.72 DHFR (0.32) P2RX3P2RX2
SCHEMBL6927409 0.69 MET (0.44) CLK4ABL1EGFRSRCKDR
SCHEMBL6928152 0.65 KDR (0.47) CSNK1A1CLK4RETPIK3CDABL1
SCHEMBL26866048 0.64
SCHEMBL6926826 0.64 NOS3 (0.33) PIK3CDABL1EGFRHCKSRC
SCHEMBL11666510 0.64 CSNK1A1 (0.50) CSNK1A1CLK4ABL1KDRALDH1A1

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-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R P2RX3 2593/4885P2RX2 3152/4885CSNK1A1 198/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R P2RX3 2593/4885P2RX2 3152/4885CSNK1A1 198/4885

“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.