SCHEMBL718040

SCHEMBL718040

C[C@H](c1nc(N)nc(N)n1)c1cc2cccc(Cl)c2nc1N1CCOC[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.40
AKT1 P31749 1/20 0.39
PIK3C3 Q8NEB9 4/20 0.38
MTOR P42345 11/20 0.38
PIK3CA P42336 4/20 0.38
PIK3R1 P27986 3/20 0.38
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
RICTOR Q6R327 1/20 0.36
MAPKAP1 Q9BPZ7 1/20 0.36
PDPK1 O15530 2/20 0.36
ROCK1 Q13464 2/20 0.36
AURKB Q96GD4 2/20 0.36
AURKA O14965 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
SCHEMBL15875807 1.00 ATR (0.40) ATRAKT1PIK3C3MTORPIK3CA
SCHEMBL715480 0.86 ATR (0.42) ATRAKT1PIK3C3MTORPIK3CA
SCHEMBL715481 0.86 ATR (0.42) ATRAKT1PIK3C3MTORPIK3CA
SCHEMBL717085 0.82 ATR (0.38) ATRAKT1PIK3C3MTORPIK3CA
SCHEMBL716974 0.79 MTOR (0.44) ATRPIK3C3MTORPIK3CAPIK3R1
SCHEMBL716975 0.79 MTOR (0.44) ATRPIK3C3MTORPIK3CAPIK3R1
SCHEMBL717084 0.77 ATR (0.39) ATRAKT1PIK3C3MTORPIK3CA
SCHEMBL713306 0.76 DRD2 (0.38) PIK3CD
SCHEMBL713305 0.76 DRD2 (0.38) PIK3CD
SCHEMBL717198 0.75 ADORA2A (0.39)

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 ATR 368/4885AKT1 297/4885PIK3C3 18/4885

“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.