SCHEMBL14480944

SCHEMBL14480944

C[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1N1CCN(CC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.44
PIK3R2 O00459 4/20 0.44
PIK3CG P48736 2/20 0.41
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
P2RX7 Q99572 1/20 0.38
KRAS P01116 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AURKB Q96GD4 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
AKT1 P31749 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT2 P31751 1/20 0.34
AKT3 Q9Y243 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
SCHEMBL14480870 0.93 PIK3CD (0.45) PIK3CDPIK3R2PIK3CGKRASTMEM97
SCHEMBL14480865 0.93 PIK3CD (0.45) PIK3CDPIK3R2PIK3CGKRASTMEM97
SCHEMBL14481241 0.92 PIK3CD (0.44) PIK3CDPIK3R2PIK3CGEGFRERBB2
SCHEMBL14481015 0.88 PIK3CD (0.46) PIK3CDPIK3R2PIK3CG
SCHEMBL14481017 0.88 PIK3CD (0.46) PIK3CDPIK3R2PIK3CG
SCHEMBL15899996 0.88 PIK3CD (0.41) PIK3CDPIK3R2EGFRAKT1AKT2
SCHEMBL15899882 0.88 PIK3CD (0.45) PIK3CDPIK3R2PIK3CGKRAS
SCHEMBL14481060 0.87 PIK3CD (0.46) PIK3CDPIK3R2PIK3CGKRAS
SCHEMBL14481299 0.87 PIK3CD (0.45) PIK3CDPIK3R2PIK3CGEGFRERBB2
SCHEMBL14480959 0.86 PIK3CD (0.37) PIK3CDPIK3R2EGFRERBB2RPS6KB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP claimed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US claimed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US claimed
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP disclosed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US disclosed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 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-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 PIK3CD 13/4885PIK3R2 106/4885PIK3CG 33/4885

“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.