SCHEMBL716672

SCHEMBL716672

CC(=O)N1CCN(c2nc3c(C)cccc3cc2C(C)NC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.51
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
CLK1 P49759 1/20 0.42
CNR2 P34972 1/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCF1 P14598 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 1/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
P2RX3 P56373 1/20 0.38
SMO Q99835 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL715607 0.90 CNR2 (0.43) PIK3CDALDH1A1KDM4ECNR2NCF1
SCHEMBL715545 0.86 TSHR (0.41) PIK3CDALDH1A1KDM4ETSHRUSP2
SCHEMBL717258 0.86 PIK3CD (0.53) PIK3CDALDH1A1KDM4ETSHRUSP2
SCHEMBL717259 0.86 PIK3CD (0.53) PIK3CDALDH1A1KDM4ETSHRUSP2
SCHEMBL14481792 0.83 OPRK1 (0.39) PIK3CDCNR2NCF1NPY5RP2RX3
SCHEMBL716003 0.82 PIK3CD (0.53) PIK3CDALDH1A1KDM4ETSHRUSP2
SCHEMBL15875814 0.82 PIK3CD (0.55) PIK3CDALDH1A1KDM4E
SCHEMBL714201 0.82 PIK3CD (0.55) PIK3CDALDH1A1KDM4E
SCHEMBL716547 0.81 TDP1 (0.44) PIK3CDALDH1A1KDM4ETSHRUSP2
SCHEMBL720538 0.80 AKT1 (0.43) PIK3CDALDH1A1KDM4ECNR2SMN1; SMN2

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 4 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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 (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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 PIK3CD 12/4885ALDH1A1 3504/4885KDM4E 2430/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA PIK3CD 6/4885ALDH1A1 1059/4885KDM4E 3834/4885

“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.