SCHEMBL2828058

SCHEMBL2828058

CNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3ccc4cccnc4n3)CC2)c2cc(OC)ccc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.40
FGFR1 P11362 1/20 0.37
MTNR1A P48039 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
JAK1 P23458 5/20 0.35
JAK2 O60674 3/20 0.35
TYK2 P29597 3/20 0.35
JAK3 P52333 3/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2797739 0.89 KCNH2 (0.40) KCNH2MTNR1ACNR1CNR2HTR1A
SCHEMBL2795273 0.88 KCNH2 (0.40) KCNH2FGFR1
SCHEMBL2793122 0.87 KCNH2 (0.39) KCNH2FGFR1MTNR1ACNR1CNR2
SCHEMBL2828057 0.86 KCNH2 (0.52) KCNH2
SCHEMBL2798891 0.83 KCNH2 (0.38) KCNH2FGFR1MTNR1ACNR1CNR2
SCHEMBL2796334 0.83 MCHR1 (0.39) KCNH2MTNR1ACNR1CNR2HTR1A
SCHEMBL2797168 0.82 KCNH2 (0.40) KCNH2CNR1CNR2HTR1AHTR2A
Hydrochloric Acid SCHEMBL2798696 0.81 KCNH2 (0.37) KCNH2MTNR1ACNR1CNR2KDM4E
SCHEMBL2800125 0.80 KCNH2 (0.38) KCNH2CNR1CNR2JAK1JAK2
SCHEMBL2794876 0.80 KCNH2 (0.39) KCNH2CNR1CNR2KDM4EALDH1A1

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 6 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-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
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
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 KCNH2 578/4885FGFR1 303/4885MTNR1A 2570/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 KCNH2 525/4885FGFR1 4064/4885MTNR1A 3499/4885

“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.