SCHEMBL10028674

SCHEMBL10028674

Cc1nc(N2CCC(O)CC2)nc(N2CCC(O)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.43
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
SMO Q99835 1/20 0.40
NPY5R Q15761 1/20 0.40
CHRM3 P20309 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
IDH2 P48735 1/20 0.38
EPHX2 P34913 3/20 0.36
MCHR1 Q99705 3/20 0.36
IKBKB O14920 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL10028675 0.98 HRH4 (0.46) HRH4KDM4EUSP2HPGDNPSR1
SCHEMBL13034556 0.80 KDM4E (0.65) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL5391907 0.73 SMPD3 (0.36) HRH4KDM4EUSP2HPGDNPSR1
SCHEMBL14503441 0.73 SMPD3 (0.36) HRH4KDM4EUSP2HPGDNPSR1
SCHEMBL12644983 0.73 KDM4E (0.71) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL821899 0.73 MEN1 (0.59) HRH4KDM4EUSP2NPSR1HSD17B10
SCHEMBL356595 0.72 GPR119 (0.49) KDM4EUSP2HPGDNPSR1HSD17B10
SCHEMBL14503503 0.72 SMN1; SMN2 (0.47) USP2CHRM3PDE4APDE4BPDE4C
SCHEMBL22924654 0.71 HRH4 (0.74) HRH4NPSR1HSD17B10
SCHEMBL12986274 0.71 KDM4E (0.50) KDM4EUSP2HPGDNPSR1HSD17B10

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-8124720-B2 Triazine-based monomeric compound, di-triazine compound, and degradable polymer NATIONAL CHI NAN UNIVERSITY (TW) 2012-02-28 US disclosed
US-20090312520-A1 Triazine-Based Monomeric Compound, Di-Triazine Compound, and Degradable Polymer NATIONAL CHI NAN UNIVERSITY (TW) 2009-12-17 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-20090312520-A1 Triazine-Based Monomeric Compound, Di-Triazine Compound, and Degradable Polymer CCNB2, CCND2, CCNB1 HRH4 292/4885KDM4E 3782/4885USP2 154/4885

“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.