SCHEMBL2798258

SCHEMBL2798258

[O-][n+]1cccc2c(Cl)cccc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 3/20 0.48
NR4A2 P43354 1/20 0.39
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
CFTR P13569 4/20 0.33
MAPK14 Q16539 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2795974 0.85 CYP2A6 (0.44) CYP1A2CYP2A6NR4A2MAPTHTT
SCHEMBL1295362 0.77 MAPT (0.35) HSP90AA1MAPTHTTGPR84CFTR
SCHEMBL5800459 0.75 CYP1A2 (0.48) CYP1A2CYP2A6HSP90AA1MAPTHTT
SCHEMBL1747611 0.75 MAPT (0.46) HSP90AA1MAPTHTTGPR84ALDH1A1
SCHEMBL30873742 0.75 MAPT (0.46) HSP90AA1MAPTHTTGPR84ALDH1A1
SCHEMBL1261956 0.75 ALDH1A1 (0.48) NR4A2HSP90AA1MAPTHTTALDH1A1
SCHEMBL12751165 0.75 MAPT (0.34) HSP90AA1MAPTHTT
SCHEMBL4437293 0.75 MAPT (0.42) CYP1A2HSP90AA1MAPTHTTALDH1A1
SCHEMBL19135924 0.75 CYP1A2 (0.48) CYP1A2CYP2A6NR4A2CFTRALDH1A1
SCHEMBL7900240 0.74 HTT (0.42) HSP90AA1MAPTHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941162-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-10-31 US disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 US disclosed
US-10253047-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-04-09 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-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 (7 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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2A6 2986/4885NR4A2 3905/4885
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 CYP1A2 1260/4885CYP2A6 2749/4885NR4A2 1392/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2A6 2986/4885NR4A2 3905/4885
US-10941162-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP1A2 1439/4885CYP2A6 2373/4885NR4A2 2771/4885
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2A6 2986/4885NR4A2 3905/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 CYP1A2 1206/4885CYP2A6 1680/4885NR4A2 3130/4885
US-10253047-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP1A2 1157/4885CYP2A6 2795/4885NR4A2 2117/4885

“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.