SCHEMBL716164

SCHEMBL716164

CC(NC(=O)O)c1cc2cccc(Cl)c2nc1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.40
AKT2 P31751 5/20 0.40
AKT3 Q9Y243 5/20 0.40
CYP3A4 P08684 3/20 0.40
FABP3 P05413 2/20 0.40
CYP2C9 P11712 2/20 0.40
FABP4 P15090 2/20 0.40
FABP5 Q01469 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGFR P43088 4/20 0.38
TBXA2R P21731 1/20 0.38
PIK3CD O00329 2/20 0.38
CNR2 P34972 1/20 0.38
THRB P10828 1/20 0.37
CTSA P10619 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
SCHEMBL717045 0.90 PIK3CB (0.40) CYP3A4CYP2C9TSHRPIK3CD
SCHEMBL713901 0.89 AKT1 (0.43) AKT1AKT2AKT3CYP3A4FABP3
SCHEMBL715607 0.89 CNR2 (0.43) PIK3CDCNR2
SCHEMBL716476 0.88 CNR1 (0.40) CYP2C9TSHRCASP1CASP7CNR2
SCHEMBL716682 0.87 MAPT (0.48) ALOX15TSHRCNR2
SCHEMBL715574 0.86 STK4 (0.41) TSHRCNR2
SCHEMBL715103 0.86 KDM4E (0.39) CNR2
SCHEMBL715705 0.86 KDM4E (0.39) CNR2
SCHEMBL715104 0.86 KDM4E (0.39) CNR2
SCHEMBL17530837 0.85 ADRA2A (0.34) AKT1AKT2AKT3PTGFRPIK3CD

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 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
EP-2403847-A1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-01-11 EP disclosed
WO-2010100405-A1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-09-10 WO 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 297/4885AKT2 278/4885AKT3 277/4885

“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.