SCHEMBL2796986

SCHEMBL2796986

CCOC(=O)C1(CCCn2c(=O)cc(C)c3ccc(OC)cc32)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PRKDC P78527 2/20 0.41
DYRK1A Q13627 1/20 0.40
CNR2 P34972 1/20 0.40
MTOR P42345 1/20 0.39
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL11999848 0.91 ALDH1A1 (0.38) CNR2ALDH1A1MEN1KMT2APOLB
SCHEMBL2797642 0.89 PIK3CA (0.42) PIK3CAPRKDCMTORALDH1A1MEN1
SCHEMBL2798330 0.86 PIK3CA (0.43) PIK3CAPRKDCMTORALDH1A1POLB
SCHEMBL2797996 0.84 POLB (0.38) DYRK1ACNR2ALDH1A1MEN1KMT2A
SCHEMBL2796205 0.81 KMT2A (0.44) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL13234472 0.81 PIK3CA (0.42) PIK3CAPRKDCDYRK1ACNR2MTOR
SCHEMBL2800137 0.81 PIK3CA (0.44) PIK3CAPRKDCDYRK1ACNR2MTOR
SCHEMBL2795878 0.80 KCNH2 (0.47) PIK3CAPRKDCDYRK1ACNR2MTOR
SCHEMBL11999866 0.79 ALDH1A1 (0.39) CNR2ALDH1A1MEN1KMT2APOLB
SCHEMBL11999895 0.78 ALDH1A1 (0.40) PIK3CAPRKDCALDH1A1MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 PIK3CA 4605/4885PRKDC 3243/4885DYRK1A 691/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 PIK3CA 1045/4885PRKDC 4057/4885DYRK1A 1419/4885

“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.