SCHEMBL632992

SCHEMBL632992

COc1ccc2nccc(NC(C3CNC3)C(c3ccccc3)c3ccccc3)c2n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RAF1 P04049 1/20 0.32
DYRK1A Q13627 1/20 0.32
CCR8 P51685 1/20 0.32
KRAS P01116 1/20 0.31
SOS1 Q07889 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL632652 0.71 KCNH2 (0.39) KCNH2CNR1CNR2
SCHEMBL633958 0.70 KCNH2 (0.54) KCNH2CNR1CNR2
SCHEMBL632991 0.69 CNR1 (0.36) KCNH2CNR1CNR2CCR8
SCHEMBL5749369 0.68 EGFR (0.39) KCNH2
SCHEMBL3070145 0.67 EGFR (0.39) KCNH2
SCHEMBL632921 0.66 PIK3CD (0.44) KCNH2SLC6A4
SCHEMBL1147498 0.66 KCNH2 (0.43) KCNH2RAF1DYRK1A
SCHEMBL15884572 0.66 RAF1 (0.44) RAF1DYRK1A
SCHEMBL632653 0.64 PTPN11 (0.36) KCNH2
SCHEMBL1223788 0.63 AAK1 (0.39) KCNH2

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-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 KCNH2 31/4885CNR1 205/4885CNR2 564/4885

“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.