SCHEMBL717084

SCHEMBL717084

C[C@H]1COCCN1c1nc2c(Cl)cccc2cc1[C@H](C)C1(C)N=C(N)N=C(N)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.39
AKT1 P31749 1/20 0.35
PIK3C3 Q8NEB9 6/20 0.34
PDE4D Q08499 2/20 0.34
MTOR P42345 4/20 0.33
PIK3R1 P27986 3/20 0.33
PIK3CA P42336 3/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK14 Q16539 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
PIK3R2 O00459 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL715552 0.84 PIK3CG (0.36) PIK3CAPIK3R2PIK3CDPIK3CBPIK3CG
SCHEMBL715480 0.80 ATR (0.42) ATRAKT1PIK3C3MTORPIK3R1
SCHEMBL715481 0.80 ATR (0.42) ATRAKT1PIK3C3MTORPIK3R1
SCHEMBL17530768 0.79 HRH4 (0.30)
SCHEMBL716760 0.79 HRH4 (0.30)
SCHEMBL715850 0.79 ADORA2A (0.34) PIK3CG
SCHEMBL716011 0.79 ADORA2A (0.34) PIK3CG
SCHEMBL716261 0.78 CNR2 (0.36)
SCHEMBL17530833 0.77 CNR1 (0.34) PIK3CAPIK3CDPIK3CG
SCHEMBL718040 0.77 ATR (0.40) ATRAKT1PIK3C3MTORPIK3R1

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 claimed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US claimed
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 ATR 368/4885AKT1 297/4885PIK3C3 18/4885

“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.