SCHEMBL714585

SCHEMBL714585

C[C@H](N)c1cc2cccc(Cl)c2nc1N1CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
PNMT P11086 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
LMNA P02545 1/20 0.37
IDH1 O75874 1/20 0.36
MAP3K5 Q99683 1/20 0.36
PIK3CD O00329 3/20 0.36
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA5 P08648 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
SCHEMBL714586 1.00 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715439 0.84 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL11673 0.84 PRKCH (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715440 0.84 CYP1A2 (0.35) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL11674 0.84 PRKCH (0.37) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715629 0.83 ITGB3 (0.39) CYP3A4IDH1MAP3K5PIK3CDITGB3
SCHEMBL716690 0.81 IDH1 (0.45) LMNAIDH1PIK3CD
SCHEMBL715249 0.78 HPGD (0.43) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715879 0.76 P2RX7 (0.39) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL715880 0.76 P2RX7 (0.39) 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.