SCHEMBL716017

SCHEMBL716017

C[C@H](N)c1cc2cccc(Cl)c2nc1N1CCN(CC(=O)N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
DRD2 P14416 8/20 0.38
DRD3 P35462 6/20 0.38
P2RX3 P56373 1/20 0.38
CACNA2D1 P54289 2/20 0.37
CACNA1B Q00975 2/20 0.37
CACNB1 Q02641 2/20 0.37
CACNA1C Q13936 2/20 0.37
CNR2 P34972 1/20 0.36
IGF1R P08069 1/20 0.36
KCNH2 Q12809 1/20 0.36
AURKA O14965 1/20 0.35
ENPP2 Q13822 1/20 0.35
DRD4 P21917 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL716018 1.00 PIK3CD (0.44) PIK3CDDRD2DRD3P2RX3CACNA2D1
SCHEMBL715661 0.89 PIK3CD (0.55) PIK3CDP2RX3KDM4E
SCHEMBL715662 0.89 PIK3CD (0.55) PIK3CDP2RX3KDM4E
SCHEMBL15875821 0.89 TNF (0.38) DRD2DRD3OPRM1
Hydrochloric Acid SCHEMBL715771 0.88 TNF (0.37) DRD2DRD3KCNH2LMNA
SCHEMBL717420 0.87 PIK3CD (0.44) PIK3CDP2RX3CACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL17530808 0.86 DRD2 (0.40) DRD2DRD3CNR2NPC1LMNA
Hydrochloric Acid SCHEMBL721448 0.86 DRD2 (0.40) DRD2DRD3CNR2NPC1LMNA
SCHEMBL715149 0.83 PIK3CD (0.47) PIK3CDP2RX3IGF1RKCNH2AURKA
SCHEMBL715148 0.83 PIK3CD (0.47) PIK3CDP2RX3IGF1RKCNH2AURKA

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 PIK3CD 12/4885DRD2 2614/4885DRD3 2337/4885

“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.