SCHEMBL13449184

SCHEMBL13449184

CC(=O)c1cc(Br)c2oc(N3CCOCC3)cc(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 8/20 0.58
▸ PIK3CA P42336 7/20 0.52
▸ PIK3CD O00329 6/20 0.52
▸ PIK3CG P48736 6/20 0.52
▸ P2RY12 Q9H244 2/20 0.49
▸ PIK3CB P42338 9/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ PIK3R1 P27986 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1638958 0.89 PIK3CA (0.53) PRKDCPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1638322 0.87 PRKDC (0.55) PRKDCPIK3CAPIK3CDPIK3CGP2RY12
SCHEMBL1637213 0.87 PIK3CB (0.63) PIK3CAPIK3CDPIK3CGPIK3CBKCNH2
SCHEMBL13276510 0.87 PIK3CB (0.58) PIK3CAPIK3CDPIK3CGPIK3CBKCNH2
SCHEMBL28946192 0.82 P2RY12 (0.53) PRKDCPIK3CAPIK3CDPIK3CGP2RY12
SCHEMBL24714393 0.82 PRKDC (0.59) PRKDCPIK3CAPIK3CDPIK3CGP2RY12
SCHEMBL1636575 0.81 PRKDC (0.57) PRKDCPIK3CAPIK3CDPIK3CGP2RY12
SCHEMBL28946196 0.79 PIK3CA (0.50) PRKDCPIK3CAPIK3CDPIK3CGP2RY12
SCHEMBL1638180 0.78 PIK3CB (0.63) PIK3CAPIK3CDPIK3CGPIK3CBKCNH2
SCHEMBL1639250 0.78 PRKDC (0.55) PRKDCPIK3CAPIK3CDPIK3CGP2RY12

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-20140038937-A1 Chromenone Derivatives ASTRAZENECA AB (SE) 2014-02-06 — — US disclosed
US-8530470-B2 Chromenone derivatives ASTRAZENECA AB (SE) 2013-09-10 — — US disclosed
US-20120264731-A1 CHROMENONE DERIVATIVES ASTRAZENECA AB (SE) 2012-10-18 — — 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 (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-20140038937-A1 Chromenone Derivatives RB1, CYP11B1, CCND1 PRKDC 2899/4885PIK3CA 1609/4885PIK3CD 2843/4885
US-20120264731-A1 CHROMENONE DERIVATIVES RB1, CYP11B1, CCND1 PRKDC 2899/4885PIK3CA 1609/4885PIK3CD 2843/4885

“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.

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