SCHEMBL21138474

SCHEMBL21138474

CC[C@H]1CC[C@H](n2nnc3c(N)ncnc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.48
ADORA2A P29274 10/20 0.44
PDE8B O95263 1/20 0.43
ADCY5 O95622 5/20 0.41
ADORA1 P30542 8/20 0.40
ADORA3 P0DMS8 6/20 0.40
ADORA2B P29275 5/20 0.40
PI4KA P42356 4/20 0.40
PI4K2B Q8TCG2 4/20 0.40
PI4K2A Q9BTU6 4/20 0.40
PI4KB Q9UBF8 4/20 0.40
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
NTRK1 P04629 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL24686947 0.89 ADORA2A (0.54) AHCYADORA2APDE8BADCY5ADORA1
SCHEMBL21138855 0.85 AHCY (0.47) AHCYADORA2APDE8BADCY5ADORA1
SCHEMBL21057395 0.85 AHCY (0.48) AHCYADORA2APDE8BADORA1ADORA3
SCHEMBL21057392 0.85 AHCY (0.48) AHCYADORA2APDE8BADORA1ADORA3
SCHEMBL21057481 0.85 AHCY (0.48) AHCYADORA2APDE8BADORA1ADORA3
SCHEMBL21138851 0.83 ADORA2A (0.56) AHCYADORA2APDE8BADORA1ADORA3
SCHEMBL10475412 0.82 AHCY (0.58) AHCYADORA2APDE8BADCY5ADORA1
SCHEMBL21057329 0.81 ADORA2A (0.57) AHCYADORA2APDE8BADORA1ADORA3
SCHEMBL21058221 0.81 ADORA2A (0.57) AHCYADORA2APDE8BADORA1ADORA3
Hydrochloric Acid SCHEMBL21057461 0.80 ADORA2A (0.56) AHCYADORA2APDE8BADORA1ADORA3

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 AHCY 1959/4885ADORA2A 1642/4885PDE8B 13/4885

“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.