SCHEMBL21138746

SCHEMBL21138746

Nc1nc(C(F)(F)F)nc2c1nnn2C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 14/20 0.54
PDE8A O60658 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ADORA2A P29274 3/20 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
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM1A O60341 1/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31

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
SCHEMBL21057352 0.83 PDE8B (0.38) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21138214 0.78 PDE8B (0.51) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21057518 0.75 PDE8B (0.39) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21057455 0.75 KDM1A (0.40) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21057419 0.73 PDE8B (0.38) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21057536 0.73 PDE8B (0.40) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21057386 0.72 PDE5A (0.46) PDE8BADORA2APDE5APDE1APDE1B
SCHEMBL21057329 0.71 ADORA2A (0.57) PDE8BADORA2AADORA3ADORA1PI4KA
SCHEMBL21058221 0.71 ADORA2A (0.57) PDE8BADORA2AADORA3ADORA1PI4KA
Hydrochloric Acid SCHEMBL21057461 0.70 ADORA2A (0.56) PDE8BADORA2AADORA3ADORA1PI4KA

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 PDE8B 13/4885PDE8A 22/4885PDE4A 10/4885

“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.