SCHEMBL21057352

SCHEMBL21057352

FC(F)(F)c1nc(Cl)c2nnn(C3CCCCC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 5/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
ADORA2A P29274 1/20 0.33
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
KDM1A O60341 1/20 0.32
CNR2 P34972 4/20 0.31
TLR7 Q9NYK1 1/20 0.31
HCAR3 P49019 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL21138746 0.83 PDE8B (0.54) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21138340 0.78 PDE5A (0.38) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21138862 0.75 KDM1A (0.40) MEN1KMT2AADORA2APDE5APDE1A
SCHEMBL4461587 0.72 PI4KA (0.43) ADORA2A
SCHEMBL11622927 0.71 ADORA2A (0.40) ADORA2AHCAR3ALDH1A1
SCHEMBL14768701 0.70 PDE5A (0.38) GABRA2GABRB2ADORA2APDE5APDE1A
SCHEMBL14709136 0.69 KDM1A (0.58) ADORA2APDE5APDE1APDE1BPDE1C
SCHEMBL21057528 0.67 GRM5 (0.43) KDM1AHCAR3TSHRALDH1A1
SCHEMBL15353927 0.67 CNR2 (0.37) PDE8BPDE1APDE1BPDE1CCNR2
SCHEMBL21138790 0.66 ADORA2A (0.39) ADORA2APDE5APDE1APDE1BPDE1C

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-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
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 PDE8B 13/4885MEN1 1320/4885KMT2A 1923/4885

“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.