SCHEMBL720538

SCHEMBL720538

CC(=O)NC1CCN(c2nc3c(C)cccc3cc2C(C)NC(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
SMPD3 Q9NY59 5/20 0.42
PIK3CD O00329 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
DYRK3 O43781 1/20 0.41
PIM3 Q86V86 1/20 0.41
SRPK1 Q96SB4 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OGFRL1 Q5TC84 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CASR P41180 1/20 0.39
PTGES O14684 1/20 0.39

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
SCHEMBL720537 1.00 AKT1 (0.43) AKT1SMPD3PIK3CDIRAK4DYRK3
SCHEMBL714750 0.85 DYRK3 (0.46) AKT1SMPD3DYRK3PIM3SRPK1
SCHEMBL714751 0.85 DYRK3 (0.46) AKT1SMPD3DYRK3PIM3SRPK1
SCHEMBL715574 0.85 STK4 (0.41) ALDH1A1CNR2PTGES
SCHEMBL714765 0.84 PIK3CD (0.43) AKT1SMPD3PIK3CDIRAK4KDM4E
SCHEMBL714766 0.84 PIK3CD (0.43) AKT1SMPD3PIK3CDIRAK4KDM4E
SCHEMBL17530819 0.84 PDE10A (0.44) PIK3CDPIM3
SCHEMBL15875817 0.84 PDE10A (0.44) PIK3CDPIM3
SCHEMBL716672 0.80 PIK3CD (0.51) PIK3CDKDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL715545 0.79 TSHR (0.41) PIK3CDKDM4EALDH1A1SMN1; SMN2PTGES

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
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 AKT1 297/4885SMPD3 2503/4885PIK3CD 12/4885

“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.