SCHEMBL13232198

SCHEMBL13232198

CN1C(=O)c2cc3cccnc3n2C(=O)C1(C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CD O00329 2/20 0.36
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
BRD4 O60885 2/20 0.34
ELANE P08246 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33

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
SCHEMBL13232185 0.82 ELANE (0.38) KMT2APIK3CDBRD4ELANEBACE1
SCHEMBL13232203 0.81 PKM (0.36) PIK3CDELANEBACE1ALDH1A1
SCHEMBL13262626 0.68 ITGB2 (0.32) ELANECNR1HTT
SCHEMBL13232197 0.67 LMNA (0.35) KDM4EMEN1KMT2ACNR1ALDH1A1
SCHEMBL1818959 0.67 GAA (0.35) KDM4EMEN1KMT2ABRD4ELANE
SCHEMBL1821237 0.67 NOX4 (0.34) KDM4EMEN1KMT2AELANEBACE1
SCHEMBL1824112 0.67 BACE1 (0.37) MEN1KMT2AELANEBACE1ALDH1A1
SCHEMBL1818287 0.67 IDH1 (0.34) MEN1KMT2APIK3CDELANEBACE1
SCHEMBL1818288 0.67 IDH1 (0.34) MEN1KMT2APIK3CDELANEBACE1
SCHEMBL1818957 0.67 GAA (0.35) KDM4EMEN1KMT2ABRD4ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 US disclosed
WO-2009000757-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2008-12-31 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 (1 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-20100167933-A1 Piperazine Compounds With Herbicidal Action PRXL2A, CBR1, CBR3 ATM 4359/4885KDM4E 3601/4885CYP1A2 23/4885

“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.