SCHEMBL18544265

SCHEMBL18544265

COc1ccc2ncc(=O)n(C)c2n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.60
ALDH1A1 P00352 6/20 0.55
CYP2C19 P33261 5/20 0.55
CLK4 Q9HAZ1 3/20 0.55
CYP3A4 P08684 3/20 0.55
CASP1 P29466 3/20 0.49
CASP7 P55210 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
CYP2D6 P10635 1/20 0.49
USP2 O75604 4/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.47
PDE10A Q9Y233 6/20 0.45
KCNH2 Q12809 2/20 0.41

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
SCHEMBL21038745 0.87 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL12046238 0.81 CYP1A2 (0.50) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL21428568 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL20753951 0.80 PDE10A (0.42) CYP1A2PDE10AKCNH2
SCHEMBL21321489 0.80 PDE10A (0.42) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL3777808 0.80 CYP1A2 (0.49) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL21429158 0.79 KCNH2 (0.46) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL17813507 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL3789136 0.78 CYP1A2 (0.47) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4
SCHEMBL15850855 0.78 KCNH2 (0.48) CYP1A2ALDH1A1CYP2C19CLK4CYP3A4

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
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-03-26 US disclosed
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-08-22 US disclosed
US-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2019-05-30 US disclosed
WO-2017137743-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017137744-A1 HETEROCYCLIC COMPOUNDS, IN PARTICULAR 2-OXO-4,4,5,5,6,6,7,7-OCTAHYDROBENZOXAZOLE DERIVATIVES, AND THEIR USE AS ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-08-17 WO disclosed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 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 (5 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-20190161472-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, LAS1L, MRPL19 CYP1A2 1035/4885ALDH1A1 830/4885CYP2C19 1329/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885ALDH1A1 4199/4885CYP2C19 3470/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CYP1A2 584/4885ALDH1A1 784/4885CYP2C19 857/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885ALDH1A1 4199/4885CYP2C19 3470/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC CYP1A2 3385/4885ALDH1A1 3914/4885CYP2C19 2916/4885

“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.