SCHEMBL714766

SCHEMBL714766

CC(=O)NC1CCN(c2nc3c(C)cccc3cc2[C@H](C)Nc2nc(C)nc(N)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.43
SMPD3 Q9NY59 3/20 0.40
AKT1 P31749 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
CNR2 P34972 2/20 0.37
KRAS P01116 2/20 0.37
SOS1 Q07889 2/20 0.37
P2RX3 P56373 1/20 0.36
OPRK1 P41145 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OGFRL1 Q5TC84 2/20 0.36
TPH1 P17752 1/20 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
SCHEMBL714765 1.00 PIK3CD (0.43) PIK3CDSMPD3AKT1IRAK4CNR2
SCHEMBL716285 0.87 OPRK1 (0.41) SMPD3AKT1KRASSOS1OPRK1
SCHEMBL716284 0.87 OPRK1 (0.41) SMPD3AKT1KRASSOS1OPRK1
SCHEMBL717891 0.87 LRRK2 (0.39) PIK3CDCNR2KRASSOS1ALDH1A1
SCHEMBL717892 0.87 LRRK2 (0.39) PIK3CDCNR2KRASSOS1ALDH1A1
SCHEMBL720538 0.84 AKT1 (0.43) PIK3CDSMPD3AKT1IRAK4CNR2
SCHEMBL720537 0.84 AKT1 (0.43) PIK3CDSMPD3AKT1IRAK4CNR2
SCHEMBL17530839 0.84 OPRK1 (0.43) SMPD3AKT1OPRK1OPRM1
SCHEMBL17530762 0.83 OPRK1 (0.40) SMPD3AKT1KRASSOS1OPRK1
SCHEMBL716189 0.81 TSHR (0.47) PIK3CDKDM4EALDH1A1SMN1; 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 5 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 claimed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US claimed
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 PIK3CD 12/4885SMPD3 2503/4885AKT1 297/4885

“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.