SCHEMBL21038745

SCHEMBL21038745

COc1cnc2ccc(=O)n(C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 17/20 0.53
ALDH1A1 P00352 11/20 0.48
CYP3A4 P08684 7/20 0.48
CYP2C19 P33261 5/20 0.48
CLK4 Q9HAZ1 5/20 0.48
USP2 O75604 6/20 0.42
HSD17B10 Q99714 5/20 0.42
CASP1 P29466 4/20 0.42
CASP7 P55210 4/20 0.42
HPGD P15428 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL18544265 0.87 CYP1A2 (0.60) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL18544270 0.83 PDE10A (0.39) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL21428786 0.81 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL20687533 0.80 PDE10A (0.37) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL21321491 0.80 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL25024255 0.80 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL21428647 0.79 KCNH2 (0.46) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL15850811 0.78 CYP1A2 (0.41) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL3842971 0.77 CYP1A2 (0.38) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4
SCHEMBL21409390 0.77 CYP1A2 (0.39) CYP1A2ALDH1A1CYP3A4CYP2C19CLK4

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 1035/4885ALDH1A1 830/4885CYP3A4 2112/4885
US-20200095225-A9 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885ALDH1A1 4199/4885CYP3A4 3159/4885
US-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 CYP1A2 584/4885ALDH1A1 784/4885CYP3A4 1529/4885
US-20190256495-A1 NEW ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC CYP1A2 4147/4885ALDH1A1 4199/4885CYP3A4 3159/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC CYP1A2 3385/4885ALDH1A1 3914/4885CYP3A4 2153/4885

“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.