SCHEMBL716974

SCHEMBL716974

C[C@H](NC(=O)O)c1cc2cccc(Cl)c2nc1N1CCOC[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.44
PIK3C3 Q8NEB9 4/20 0.40
ACACB O00763 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PFKP Q01813 1/20 0.40
KCNH2 Q12809 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
HTR3A P46098 2/20 0.39
ATR Q13535 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
SCHEMBL716975 1.00 MTOR (0.44) MTORPIK3C3ACACBPIK3CDPIK3R1
SCHEMBL717045 0.85 PIK3CB (0.40) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL715481 0.84 ATR (0.42) MTORPIK3C3PIK3R1PIK3CAATR
SCHEMBL715480 0.84 ATR (0.42) MTORPIK3C3PIK3R1PIK3CAATR
SCHEMBL717085 0.81 ATR (0.38) MTORPIK3C3PIK3CDPIK3R1PIK3CA
SCHEMBL716164 0.80 AKT1 (0.40) PIK3CD
SCHEMBL15875807 0.79 ATR (0.40) MTORPIK3C3PIK3CDPIK3R1PIK3CA
SCHEMBL718040 0.79 ATR (0.40) MTORPIK3C3PIK3CDPIK3R1PIK3CA
SCHEMBL715104 0.77 KDM4E (0.39) ACACB
SCHEMBL715103 0.77 KDM4E (0.39) ACACB

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 MTOR 92/4885PIK3C3 18/4885ACACB 1635/4885

“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.