SCHEMBL20206416

SCHEMBL20206416

CN1CCC(C(=O)c2ccncc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
HTR1F P30939 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD11B1 P28845 3/20 0.47
MGLL Q99685 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL6494263 0.83 KDM4E (0.58) POLBKDM4EGAAMEN1KMT2A
SCHEMBL28975833 0.83 POLB (0.68) POLBKDM4EGAAMEN1KMT2A
SCHEMBL2552838 0.82 HTR2A (0.62) MEN1KMT2AHSD11B1MGLLHTR2A
SCHEMBL21381589 0.81 POLB (0.67) POLBKDM4EGAAMEN1KMT2A
SCHEMBL13391062 0.81 SLC18A3 (0.63) POLBKDM4EGAAHTR1FMEN1
SCHEMBL28203216 0.81 KMT2A (0.71) MEN1KMT2AHSD11B1MGLL
SCHEMBL13944389 0.81 SRD5A2 (0.57) POLBHTR1FMEN1KMT2AHSD11B1
SCHEMBL28975834 0.80 POLB (0.57) POLBKDM4EGAAMEN1KMT2A
SCHEMBL28187892 0.80 POLB (0.53) POLBKDM4EGAAMEN1KMT2A
SCHEMBL28957256 0.80 POLB (0.55) POLBKDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 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 (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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 POLB 387/4885KDM4E 1664/4885GAA 1473/4885

“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.