SCHEMBL21057538

SCHEMBL21057538

CC1CCCCC1n1nnc2c(Cl)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ AHCY P23526 1/20 0.36
▸ PDE8B O95263 1/20 0.32
▸ PKM P14618 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ THPO P40225 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ HCAR1 Q9BXC0 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
SCHEMBL21057534 1.00 TP53 (0.39) TP53AHCYPDE8BPKMALDH1A1
SCHEMBL21057537 1.00 TP53 (0.39) TP53AHCYPDE8BPKMALDH1A1
SCHEMBL21057371 0.83 AHCY (0.53) TP53AHCYPDE8BALDH1A1SMN1; SMN2
SCHEMBL21057389 0.83 AHCY (0.53) TP53AHCYPDE8BALDH1A1SMN1; SMN2
SCHEMBL21057391 0.83 AHCY (0.53) TP53AHCYPDE8BALDH1A1SMN1; SMN2
SCHEMBL21057375 0.83 AHCY (0.53) TP53AHCYPDE8BALDH1A1SMN1; SMN2
SCHEMBL21057373 0.83 AHCY (0.53) TP53AHCYPDE8BALDH1A1SMN1; SMN2
SCHEMBL21057381 0.83 AHCY (0.41) AHCYPDE8BALDH1A1CYP1A2CYP3A4
SCHEMBL21057383 0.83 AHCY (0.41) AHCYPDE8BALDH1A1CYP1A2CYP3A4
SCHEMBL21057378 0.83 AHCY (0.41) AHCYPDE8BALDH1A1CYP1A2CYP3A4

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 TP53 3997/4885AHCY 1959/4885PDE8B 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.

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