SCHEMBL21138852

SCHEMBL21138852

Nc1nccn2c(N3CCCC(F)(F)C3)nnc12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
ADORA3 P0DMS8 1/20 0.35
FFAR2 O15552 1/20 0.34
PTPN11 Q06124 8/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
NUDT1 P36639 1/20 0.32
TLR7 Q9NYK1 2/20 0.31
BTK Q06187 2/20 0.31
MAP3K12 Q12852 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
SCHEMBL21138166 0.86 CYP2D6 (0.38) ADORA3PTPN11NUDT1
SCHEMBL21138164 0.86 CYP2D6 (0.38) ADORA3PTPN11NUDT1
SCHEMBL21137445 0.85 GRIA1 (0.40) GRIA1PTPN11EIF2AK4
SCHEMBL21057382 0.85 ADORA2A (0.39) ADORA3PTPN11NUDT1TLR7BTK
SCHEMBL21138170 0.81 ADORA3 (0.41) ADORA3PTPN11NUDT1TLR7
SCHEMBL21138462 0.81 ADORA3 (0.41) ADORA3PTPN11NUDT1TLR7
SCHEMBL21138160 0.81 ADORA3 (0.41) ADORA3PTPN11NUDT1TLR7
SCHEMBL21138854 0.77 PTPN11 (0.44) ADORA3PTPN11NUDT1
SCHEMBL21138466 0.76 PTPN11 (0.45) ADORA3PTPN11NUDT1
SCHEMBL21138136 0.74 ADORA3 (0.38) ADORA3PTPN11NUDT1TLR7MAP3K12

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
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 GRIA1 2936/4885ADORA3 1484/4885FFAR2 2954/4885

“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.