SCHEMBL715439

SCHEMBL715439

C[C@H](N)c1cc2cccc(Cl)c2nc1N1CCNC(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
PIK3CA P42336 3/20 0.35
MTOR P42345 2/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
MBOAT4 Q96T53 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HTR6 P50406 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MAPK14 Q16539 1/20 0.33
PIK3CD O00329 2/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL715440 1.00 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL11673 0.92 PRKCH (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL11674 0.92 PRKCH (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL17530837 0.85 ADRA2A (0.34) PIK3CAMTOREIF2AK4MBOAT4MAPK14
SCHEMBL714586 0.84 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL714585 0.84 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715342 0.83 PIK3CD (0.37) PIK3CAMTORMBOAT4HRH4PIK3CD
SCHEMBL714060 0.83 PIK3CD (0.41) PIK3CAMTORLMNAPIK3CD
SCHEMBL715249 0.83 HPGD (0.43) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715667 0.80 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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 CYP1A2 2609/4885CYP3A4 2997/4885CYP2D6 4112/4885

“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.