SCHEMBL2779294

SCHEMBL2779294

Cc1ccc(Nc2ncccc2[N+](=O)[O-])cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.58
MAPT P10636 6/20 0.58
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NFKB1 P19838 1/20 0.55
MAPK1 P28482 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
ALDH3A1 P30838 1/20 0.52
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
PIK3CA P42336 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43

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
SCHEMBL25432578 0.85 MAPT (0.58) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL15954532 0.85 MAPT (0.56) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL30113078 0.84 MAPT (0.58) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL29153613 0.84 MAPT (0.58) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL15954728 0.82 MAPT (0.55) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL15954408 0.81 MAPT (0.53) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL28784232 0.81 MAPT (0.56) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL2177712 0.81 MAPT (0.68) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL29241859 0.81 MAPT (0.68) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL6799629 0.80 MAPT (0.56) NPC1MAPTRAB9AALDH1A1SMN1; SMN2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815832-B2 Azabenzimidazole compounds PFIZER INC. (US) 2017-11-14 US disclosed
US-9815832-B2 Azabenzimidazole compounds PFIZER INC. (US) 2017-11-14 US disclosed
US-9815832-B2 Azabenzimidazole compounds PFIZER INC. (US) 2017-11-14 US disclosed
EP-2958915-B1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER (US) 2017-07-05 EP disclosed
EP-2958915-B1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER (US) 2017-07-05 EP disclosed
EP-2958915-A1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS Pfizer Inc. (US) 2015-12-30 EP disclosed
US-20150322065-A1 Azabenzimidazole Compounds PFIZER (US) 2015-11-12 US disclosed
US-20150322065-A1 Azabenzimidazole Compounds PFIZER (US) 2015-11-12 US disclosed
US-20150322065-A1 Azabenzimidazole Compounds PFIZER (US) 2015-11-12 US disclosed
US-9120788-B2 Azabenzimidazole compounds PFIZER INC. (US) 2015-09-01 US disclosed
WO-2014128585-A1 AZABENZIMIDAZOLE COMPOUNDS AS INHIBITORS OF PDE4 ISOZYMES FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC. (US) 2014-08-28 WO disclosed
US-20140235612-A1 Azabenzimidazole Compounds PFIZER (US) 2014-08-21 US disclosed
US-20140235612-A1 Azabenzimidazole Compounds PFIZER (US) 2014-08-21 US disclosed
US-20140235612-A1 Azabenzimidazole Compounds PFIZER (US) 2014-08-21 US disclosed
US-8648075-B2 Substituted pyrido[2,3-b]pyrazines and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-30 US disclosed
US-8389523-B2 Substituted quinoxaline and an agrochemical composition thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2013-03-05 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
EP-2174934-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-14 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 (4 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-20130137577-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT NPC1 4460/4885MAPT 4727/4885RAB9A 1771/4885
US-20150322065-A1 Azabenzimidazole Compounds AZI2, HDAC6, ABL1 NPC1 592/4885MAPT 4007/4885RAB9A 1151/4885
US-20140235612-A1 Azabenzimidazole Compounds AZI2, HDAC6, ABL1 NPC1 592/4885MAPT 4007/4885RAB9A 1151/4885
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE CBR3, CBR1, DDT NPC1 4460/4885MAPT 4727/4885RAB9A 1771/4885

“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.