SCHEMBL21057386

SCHEMBL21057386

CCOc1nc(N)c2nnn(C3CCCCC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.46
▸ PDE1A P54750 1/20 0.46
▸ PDE1B Q01064 1/20 0.46
▸ PDE1C Q14123 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ADORA2A P29274 3/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PDE8B O95263 7/20 0.37
▸ PIK3CD O00329 3/20 0.36
▸ ABL1 P00519 3/20 0.36
▸ EGFR P00533 3/20 0.36
▸ HCK P08631 3/20 0.36

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
SCHEMBL21057518 0.85 PDE8B (0.39) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL21138214 0.78 PDE8B (0.51) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL11370037 0.77 ADORA2A (0.56) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL21057455 0.75 KDM1A (0.40) PDE5APDE1APDE1BPDE1CKDM1A
SCHEMBL19917128 0.74 ADORA2A (0.39) ADORA2AADORA2BADORA3ADORA1TLR7
SCHEMBL21057536 0.73 PDE8B (0.40) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL21057419 0.73 PDE8B (0.38) PDE5APDE1APDE1BPDE1CKDM1A
SCHEMBL21138746 0.72 PDE8B (0.54) PDE5APDE1APDE1BPDE1CKDM1A
SCHEMBL21057329 0.71 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1PDE8B
SCHEMBL21058221 0.71 ADORA2A (0.57) ADORA2AADORA2BADORA3ADORA1PDE8B

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 4 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
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 PDE5A 5/4885PDE1A 20/4885PDE1B 24/4885

“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.

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