SCHEMBL16856930

SCHEMBL16856930

COC1CN(C(=O)c2cc3c(c(C4CC4)n2)CN(c2cc4c(cc2Cl)CCC(c2ncccc2F)O4)C(=O)N3)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNRNP200 O75643 3/20 0.47
NTRK1 P04629 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
IDH1 O75874 2/20 0.31
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PARP1 P09874 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL16857359 0.92 SNRNP200 (0.47) SNRNP200NTRK1PDK1PDK2
SCHEMBL16856793 0.92 SNRNP200 (0.47) SNRNP200PDE4BPDE4DIDH1PDK1
SCHEMBL16857237 0.90 SNRNP200 (0.51) SNRNP200IDH1
SCHEMBL16857442 0.90 SNRNP200 (0.47) SNRNP200PDE4BPDE4D
SCHEMBL16857019 0.89 SNRNP200 (0.47) SNRNP200PDE4BIDH1
SCHEMBL16857452 0.88 SNRNP200 (0.52) SNRNP200
SCHEMBL16857032 0.88 SNRNP200 (0.46) SNRNP200PARP1PDE10A
SCHEMBL16856885 0.87 SNRNP200 (0.50) SNRNP200
SCHEMBL16857094 0.87 SNRNP200 (0.50) SNRNP200PARP1PDE10A
SCHEMBL16857102 0.87 SNRNP200 (0.50) SNRNP200

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
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
US-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 SNRNP200 3216/4885NTRK1 4847/4885PDE4A 74/4885

“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.