SCHEMBL863773

SCHEMBL863773

Cc1c(F)ccc2cc(C(C)Nc3ncnc4c3ncn4COCC[Si](C)(C)C)c(NCC(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.36
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE1C Q14123 1/20 0.31
PDE3A Q14432 1/20 0.31
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
EGFR P00533 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL863772 1.00 BRAF (0.36) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL863532 0.90 HTT (0.37) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL863531 0.90 HTT (0.37) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL864018 0.89 BRAF (0.34) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL864017 0.89 BRAF (0.34) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL864114 0.69 PIK3CD (0.36) RAB9A
SCHEMBL864113 0.69 PIK3CD (0.36) RAB9A
SCHEMBL17586321 0.66 PIK3CD (0.47)
SCHEMBL10163629 0.66 PIK3CD (0.47)
SCHEMBL22502460 0.65 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BRAF 24/4885PDE4A 819/4885PDE4B 1096/4885

“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.