SCHEMBL21138201

SCHEMBL21138201

CBn1nnc2c(N)nc(SC)nc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ FBP1 P09467 2/20 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
SCHEMBL21138202 0.78 PDE8B (0.41) —
SCHEMBL21159423 0.77 ABCB1 (0.33) ABCB1HSP90AB1FBP1
SCHEMBL21057455 0.69 KDM1A (0.40) —
SCHEMBL14619182 0.67 CDK1 (0.60) —
SCHEMBL29386483 0.67 CDK1 (0.60) —
SCHEMBL29388366 0.64 CDK1 (0.67) —
SCHEMBL4956793 0.61 HSP90AB1 (0.48) ABCB1HSP90AB1
SCHEMBL9413896 0.59 ABCB1 (0.53) ABCB1HSP90AB1
Hydrochloric Acid SCHEMBL4458130 0.59 HSP90AB1 (0.46) ABCB1HSP90AB1
SCHEMBL22055448 0.59 HSP90AB1 (0.46) ABCB1HSP90AB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ABCB1 1542/4885HSP90AB1 4348/4885FBP1 2772/4885

“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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