SCHEMBL863784

SCHEMBL863784

CNc1ncnc(N[C@@H](C)c2cc3cccc(Cl)c3nc2NCC(O)CO)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.38
MAPK14 Q16539 2/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
ABL1 P00519 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
PDGFRA P16234 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NTRK1 P04629 2/20 0.34
IDH2 P48735 3/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AURKB Q96GD4 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGFR P00533 2/20 0.32
CCNE2 O96020 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
SCHEMBL863783 1.00 PIK3CD (0.38) PIK3CDMAPK14KCNJ5KCNJ3ABL1
SCHEMBL864074 0.84 PIK3CD (0.41) PIK3CDKDM4EIDH2AURKARPS6KB1
SCHEMBL864075 0.84 PIK3CD (0.41) PIK3CDKDM4EIDH2AURKARPS6KB1
SCHEMBL863707 0.83 PIK3CD (0.38) PIK3CDAURKARPS6KB1AURKBEGFR
SCHEMBL863706 0.83 PIK3CD (0.38) PIK3CDAURKARPS6KB1AURKBEGFR
SCHEMBL863612 0.81 PIK3CD (0.47) PIK3CDMAPK14KCNJ5KCNJ3ABL1
SCHEMBL864409 0.81 PIK3CD (0.47) PIK3CDMAPK14KCNJ5KCNJ3ABL1
SCHEMBL863613 0.81 PIK3CD (0.47) PIK3CDMAPK14KCNJ5KCNJ3ABL1
SCHEMBL15184769 0.79 KCNJ5 (0.41) PIK3CDMAPK14KCNJ5KCNJ3ABL1
SCHEMBL15184749 0.79 KCNJ5 (0.41) PIK3CDMAPK14KCNJ5KCNJ3ABL1

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-2396315-B1 QUINOLINE DERIVATIVES AS PI3K KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-08-31 EP disclosed
US-8513284-B2 Fused pyridine and pyrazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2013-08-20 US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 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-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA PIK3CD 14/4885MAPK14 105/4885KCNJ5 688/4885

“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.