SCHEMBL2797692

SCHEMBL2797692

COc1ccnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 4/20 0.64
RIPK2 O43353 2/20 0.53
NLK Q9UBE8 2/20 0.53
EPHB6 O15197 1/20 0.53
ABL1 P00519 1/20 0.53
LCK P06239 1/20 0.53
EPHA1 P21709 1/20 0.53
EPHA8 P29322 1/20 0.53
TXK P42681 1/20 0.53
COQ8A Q8NI60 1/20 0.53
STK16 O75716 1/20 0.52
EGFR P00533 1/20 0.52
AAK1 Q2M2I8 1/20 0.52
BMP2K Q9NSY1 1/20 0.52
IRAK3 Q9Y616 1/20 0.52
SLC40A1 Q9NP59 1/20 0.50
FGFR2 P21802 1/20 0.49
ADRB2 P07550 1/20 0.49
NCF1 P14598 1/20 0.49
SCN9A Q15858 2/20 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
SCHEMBL6590113 0.87 GAK (0.64) GAKRIPK2NLKEPHB6ABL1
SCHEMBL13409691 0.84 GAK (0.49) GAKRIPK2NLKEPHB6ABL1
SCHEMBL15473239 0.83 GAK (0.48) GAKRIPK2NLKEPHB6ABL1
SCHEMBL12968479 0.82 GAK (0.47) GAKRIPK2NLKEPHB6ABL1
SCHEMBL29241284 0.82 ALDH1A1 (0.52) GAKABL1ADRB2NCF1PARP1
SCHEMBL1461737 0.81 GAK (0.46) GAKRIPK2NLKEPHB6ABL1
SCHEMBL22854 0.81 ADRB2 (0.52) GAKRIPK2NLKEPHB6ABL1
SCHEMBL30174440 0.81 ADRB2 (0.52) GAKRIPK2NLKEPHB6ABL1
SCHEMBL5241799 0.81 SYK (0.57) GAKRIPK2NLKEPHB6ABL1
SCHEMBL22809487 0.80 GAK (0.45) GAKRIPK2NLKEPHB6ABL1

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 16 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-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-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
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
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP disclosed
WO-2006000085-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-05 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 GAK 4044/4885RIPK2 725/4885NLK 1109/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 GAK 1985/4885RIPK2 2297/4885NLK 311/4885

“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.