SCHEMBL3285131

SCHEMBL3285131

O=C(O)N=C(NC(=O)O)n1cccn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.38
NOS1 P29475 3/20 0.36
FBP1 P09467 1/20 0.35
MAPT P10636 3/20 0.35
PLAU P00749 2/20 0.34
PDE4B Q07343 2/20 0.34
F2 P00734 1/20 0.33
KLKB1 P03952 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL22612202 0.83 NOS1 (0.32) ELANENOS1FBP1MAPTPLAU
SCHEMBL8195539 0.83 ELANE (0.34) ELANENOS1FBP1MAPTPLAU
SCHEMBL22612204 0.83 NOS1 (0.32) ELANENOS1FBP1MAPTPLAU
SCHEMBL14936429 0.83 ELANE (0.38) ELANENOS1FBP1MAPTPLAU
SCHEMBL8201443 0.82 SMN1; SMN2 (0.37) ELANENOS1PLAULMNAKMT2A
SCHEMBL8196765 0.82 CYP1A2 (0.42) ELANEPLAUPDE4BF2KLKB1
SCHEMBL8196529 0.81 NOS1 (0.39) ELANENOS1
SCHEMBL13518677 0.79 RAB9A (0.32) ELANENOS1PLAUMEN1KMT2A
SCHEMBL17560519 0.79 ELANE (0.35) ELANENOS1
SCHEMBL13518680 0.79 RAB9A (0.32) ELANENOS1PLAUMEN1KMT2A

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-9782390-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-10-10 US disclosed
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2017-04-13 US disclosed
US-9556165-B2 Amidine substituted β-lactam compounds, their preparation and use as antibacterial agents AICURIS GMBH & CO. KG (DE) 2017-01-31 US disclosed
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2806873-B1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO KG (DE) 2016-06-15 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AICURIS GMBH & CO. KG (DE) 2015-02-12 US disclosed
EP-2806873-A1 AMIDINE SUBSTITUTED BETA - LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AiCuris GmbH & Co. KG (DE) 2014-12-03 EP disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
WO-2013042006-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. (US) 2013-03-28 WO disclosed
EP-2539358-A1 PEPTIDE ANALOGUES Pfizer Limited (GB) 2013-01-02 EP disclosed
US-20120329724-A1 PEPTIDE ANALOGUES PFIZER LIMITED 2012-12-27 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 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 (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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 ELANE 463/4885NOS1 262/4885FBP1 512/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI ELANE 352/4885NOS1 866/4885FBP1 610/4885
US-20120329724-A1 PEPTIDE ANALOGUES OPRL1, OGFR, OPRM1 ELANE 1036/4885NOS1 1676/4885FBP1 4037/4885
US-20170100379-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM ELANE 574/4885NOS1 1981/4885FBP1 1041/4885
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS ELANE 4506/4885NOS1 3785/4885FBP1 1630/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS ELANE 4506/4885NOS1 3785/4885FBP1 1630/4885
US-20150045340-A1 AMIDINE SUBSTITUTED BETA-LACTAM COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS AAAS, MGAM, PAM ELANE 574/4885NOS1 1981/4885FBP1 1041/4885

“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.