SCHEMBL864320

SCHEMBL864320

C[C@H](NC(=O)O)c1cc2cccc(Cl)c2nc1NC[C@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
MAPK14 Q16539 2/20 0.36
ABL1 P00519 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
CTSA P10619 2/20 0.34
CYP1A2 P05177 2/20 0.34
PIK3CD O00329 1/20 0.34
PTPN11 Q06124 2/20 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
SCHEMBL863539 1.00 KCNJ5 (0.42) KCNJ5KCNJ3MAPK14ABL1PDGFRB
SCHEMBL863538 1.00 KCNJ5 (0.42) KCNJ5KCNJ3MAPK14ABL1PDGFRB
SCHEMBL863999 0.84 GPR139 (0.38) GPR139CTSAPIK3CD
SCHEMBL15184769 0.84 KCNJ5 (0.41) KCNJ5KCNJ3MAPK14ABL1PDGFRB
SCHEMBL15184750 0.84 KCNJ5 (0.41) KCNJ5KCNJ3MAPK14ABL1PDGFRB
SCHEMBL15184749 0.84 KCNJ5 (0.41) KCNJ5KCNJ3MAPK14ABL1PDGFRB
SCHEMBL864754 0.82 PIK3CD (0.38) GPR139CTSAPIK3CD
SCHEMBL864285 0.81 MAT2A (0.39) GPR139CTSAPIK3CD
SCHEMBL865348 0.81 KDM4E (0.45) SMN1; SMN2GPR139CTSACYP1A2PIK3CD
SCHEMBL865362 0.79 PIP4K2C (0.42) LMNACYP1A2PIK3CD

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 KCNJ5 688/4885KCNJ3 984/4885MAPK14 105/4885

“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.