SCHEMBL17844917

SCHEMBL17844917

Fc1cnc2ccnc(Cl)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
NR4A2 P43354 2/20 0.34
CYP3A4 P08684 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PARP1 P09874 1/20 0.33
PIK3CA P42336 2/20 0.32
DHODH Q02127 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SOS2 Q07890 1/20 0.31
IDO1 P14902 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
SCHEMBL10131573 0.80 NR4A2 (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL23363889 0.77 DYRK1A (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL29985217 0.77 DYRK1A (0.36) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17861317 0.77 PDE3B (0.40) CCNCCDK8PARP1PIK3CAMTOR
SCHEMBL9999186 0.77 ALDH1A1 (0.42) LMNAMAPTMAPK1KDM4EALDH1A1
SCHEMBL30496026 0.73 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL25362299 0.73 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL23247773 0.73 EGFR (0.35) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL27167321 0.73 NOS3 (0.38) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL29461081 0.71 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233827-B1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY ACRAF (IT) 2020-07-08 EP disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-10221144-B2 Antibacterial compounds having broad spectrum of activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-03-05 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
US-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 US disclosed
EP-3233827-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 EP disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 WO disclosed
WO-2016096686-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 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-20170369450-A1 ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY MRPL21, ABCG2, CLPP PDE4A 2131/4885PDE4B 1646/4885PDE4C 1498/4885
US-10221144-B2 Antibacterial compounds having broad spectrum of activity MRPL21, ABCG2, CLPP PDE4A 2131/4885PDE4B 1646/4885PDE4C 1498/4885

“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.