SCHEMBL5450834

SCHEMBL5450834

CC(C)(C)OC(=O)N1CCC(c2cc(N)sn2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
PDE4B Q07343 1/20 0.47
TRPV3 Q8NET8 1/20 0.44
HTT P42858 1/20 0.43
HPGDS O60760 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP30 Q70CQ3 2/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
CRHBP P24387 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
SCHEMBL4477598 0.93 KDM4E (0.52) KDM4EMAPTTHRBHTTGPR119
SCHEMBL31284786 0.81 KDM4E (0.43) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL4605972 0.80 MAP3K12 (0.38) MAPTALDH1A1
SCHEMBL18352270 0.78 TRPC6 (0.53) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL2679959 0.77 CHEK1 (0.48) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL2279416 0.76 KDM4E (0.48) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL6520490 0.76 HSD11B1 (0.55) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL17507070 0.76 KDM4E (0.47) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL2394069 0.76 HTT (0.51) KDM4EMAPTTHRBPDE4BTRPV3
SCHEMBL2394063 0.76 HTT (0.51) KDM4EMAPTTHRBPDE4BTRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 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 (2 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A KDM4E 857/4885MAPT 1927/4885THRB 3492/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 KDM4E 1262/4885MAPT 2249/4885THRB 3280/4885

“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.