SCHEMBL21138811

SCHEMBL21138811

FC(F)(F)C1CCCCN1c1nnc2c(Cl)nccn12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.32
PTPN11 Q06124 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GRM4 Q14833 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
SCHEMBL21138232 0.85 ADORA3 (0.36) PIK3C3PTPN11GRM4
SCHEMBL21138246 0.81 CHRM4 (0.36) PTPN11
SCHEMBL21138571 0.81 CHRM4 (0.36) PTPN11
SCHEMBL21057415 0.79 CRHR1 (0.36) PTPN11
SCHEMBL21138380 0.78 PTPN11 (0.31) PTPN11
SCHEMBL21138379 0.78 HPGD (0.34) PTPN11
SCHEMBL21138320 0.75 PTPN11 (0.32) PTPN11
SCHEMBL21138814 0.73 ADORA3 (0.37) PTPN11
SCHEMBL21138292 0.73 ADORA3 (0.37) PTPN11
SCHEMBL21138580 0.73 ADORA3 (0.37) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A PIK3C3 1368/4885PTPN11 497/4885PDE10A 12/4885

“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.