SCHEMBL21038063

SCHEMBL21038063

COc1cnc2ncc(=O)n(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KCNH2 Q12809 1/20 0.39
USP2 O75604 1/20 0.39
GRM2 Q14416 1/20 0.37
CYP19A1 P11511 1/20 0.35
NQO2 P16083 1/20 0.35
ALOX5 P09917 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL12002082 0.77 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL19231302 0.77 KCNH2 (0.45) KCNH2
SCHEMBL30231138 0.77 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL28581906 0.77 ALDH1A1 (0.51) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL17813501 0.77 KDM4E (0.34) CYP1A2CYP2C19ALDH1A1USP2NQO2
SCHEMBL4146040 0.76 KCNH2 (0.40) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL4301416 0.75 L3MBTL1 (0.40) ALDH1A1KCNH2HPGDHSD17B10
SCHEMBL12060381 0.75 KCNH2 (0.56) KCNH2
SCHEMBL21038298 0.75 ALOX5 (0.35) CYP1A2CYP3A4CYP2C19CLK4ALDH1A1
SCHEMBL21038062 0.72 PTGER4 (0.36) CYP1A2CYP2C19ALDH1A1USP2NQO2

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 5 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

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 1035/4885CYP3A4 2112/4885CYP2C19 1329/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885CYP3A4 3159/4885CYP2C19 3470/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CYP1A2 584/4885CYP3A4 1529/4885CYP2C19 857/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885CYP3A4 3159/4885CYP2C19 3470/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC CYP1A2 3385/4885CYP3A4 2153/4885CYP2C19 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.