SCHEMBL603590

SCHEMBL603590

COc1ccc2ncc(=O)n(C[C@H](O)C3CCC(NC(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46
KCNH2 Q12809 4/20 0.42
ATM Q13315 1/20 0.42
HPGDS O60760 5/20 0.42
BTK Q06187 2/20 0.41
KCNQ1 P51787 1/20 0.40
CACNA1C Q13936 1/20 0.40
JAK1 P23458 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
JAK2 O60674 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL603591 1.00 PIK3CA (0.46) PIK3CAMTORPRKDCKCNH2ATM
SCHEMBL14432772 0.85 KCNH2 (0.43) KCNH2
SCHEMBL19706873 0.83 PIK3CA (0.58) PIK3CAMTORPRKDCHPGDSBTK
SCHEMBL10285563 0.83 KCNH2 (0.58) KCNH2KCNQ1CACNA1C
SCHEMBL586111 0.81 KCNH2 (0.44) KCNH2KCNQ1CACNA1C
SCHEMBL586110 0.81 KCNH2 (0.44) KCNH2KCNQ1CACNA1C
SCHEMBL1377114 0.81 MET (0.40) PIK3CAMTORPRKDCATMHPGDS
SCHEMBL1377111 0.81 MET (0.40) PIK3CAMTORPRKDCATMHPGDS
SCHEMBL3780649 0.78 PPARG (0.45) KDM4EALDH1A1
SCHEMBL3405061 0.78 PPARG (0.45) KDM4EALDH1A1

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
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed
US-8415375-B2 2-hydroxyethyl-1H-quinolin-2-one derivatives and their azaisosteric analogues with antibacterial activity ACTELION PHARMACEUTICALS LTD. (CH) 2013-04-09 US disclosed
US-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD. (CH) 2012-02-16 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 (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-20120040989-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY NQO2, AZI2, Q6ZSR9 PIK3CA 1531/4885MTOR 2260/4885PRKDC 2653/4885

“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.