SCHEMBL7400517

SCHEMBL7400517

Brc1ccc(-n2ncnn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
BRS3 P32247 1/20 0.35
TSHR P16473 1/20 0.34
HCAR1 Q9BXC0 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDPK1 O15530 1/20 0.32
NLRP3 Q96P20 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL9440546 0.77 NOTUM (0.45) MGLLBRS3TSHRNPC1RAB9A
SCHEMBL1186753 0.77 BRS3 (0.38) BRS3NPC1RAB9AMEN1LMNA
SCHEMBL7463145 0.77 BRS3 (0.35) BRS3PDPK1
SCHEMBL2211763 0.76 KDM4E (0.46) BRS3TSHRNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4739527 0.76 NOTUM (0.44) MGLLBRS3TSHRNPC1RAB9A
SCHEMBL12100217 0.73 CYP2A6 (0.42) CYP2A6FAAHMGLLTSHRHCAR1
SCHEMBL19106908 0.72 NOTUM (0.50) MGLLBRS3NPC1RAB9AMEN1
SCHEMBL13104792 0.72 BRS3 (0.35) BRS3TSHRPDPK1
SCHEMBL14895448 0.71 ALDH1A1 (0.40) BRS3PDPK1
SCHEMBL7321916 0.69 KDM4E (0.46) TSHRNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683689-B1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2017-04-12 EP disclosed
CN-103443079-B Fluoropyridone derivatives useful as antibacterial agents PFIZER 2015-06-03 CN disclosed
CN-104529883-A Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER 2015-04-22 CN disclosed
US-8779148-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-07-15 US disclosed
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2014-02-27 US disclosed
EP-2683689-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-01-15 EP disclosed
US-8624034-B2 Fluoro-pyridinone derivatives useful as antibacterial agents PFIZER INC. (US) 2014-01-07 US disclosed
CN-103443079-A Fluoropyridone derivatives useful as antibacterial agents PFIZER 2013-12-11 CN disclosed
US-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC 2012-09-13 US disclosed
WO-2012120397-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-09-13 WO disclosed
US-5801170-A Heterocyclic biphenylylamides useful as 5HT1D antagonists SMITHKLINE BEECHAM PLC (GB) 1998-09-01 US disclosed
EP-0733048-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-09-25 EP disclosed
WO-1995015954-A1 HETEROCYCLIC BIPHENYLYLAMIDES USEFUL AS 5HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-15 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-20120232083-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 CYP2A6 1570/4885FAAH 605/4885MGLL 1383/4885
US-20140057919-A1 FLUORO-PYRIDINONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PRDX1, PRXL2A, PRDX4 CYP2A6 1570/4885FAAH 605/4885MGLL 1383/4885

“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.