SCHEMBL20341364

SCHEMBL20341364

CN1C(=O)c2c(cn(Cc3ccc(-c4cc(F)ccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 20/20 0.76
▸ PDE5A O76074 5/20 0.62
▸ PDE3B Q13370 5/20 0.62
▸ PDE11A Q9HCR9 5/20 0.62
▸ PDE7B Q9NP56 5/20 0.62
▸ PDE10A Q9Y233 5/20 0.62
▸ PDE2A O00408 4/20 0.62
▸ PDE8A O60658 4/20 0.62
▸ PDE9A O76083 3/20 0.62
▸ PDE1B Q01064 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55

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
SCHEMBL18349193 0.93 PDE4A (0.65) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL2417050 0.90 PDE4A (0.73) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL12281231 0.89 PDE4A (0.71) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL16557132 0.88 PDE4A (0.70) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL2362440 0.86 PDE4A (0.64) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL20341398 0.86 PDE4A (0.74) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8046132 0.86 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL21143267 0.85 PDE4A (0.97) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL20341397 0.84 PDE4A (0.62) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL18349192 0.84 PDE4A (0.63) PDE4APDE5APDE3BPDE11APDE7B

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-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — 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-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE4A 2/4885PDE5A 1/4885PDE3B 7/4885

“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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