SCHEMBL17521214

SCHEMBL17521214

Cc1ccc(Cn2nc3c(c2Nc2ccccc2)C(=O)N(C)C2=N[C@@H]4CCC[C@@H]4N23)cc1

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.87
PDE5A O76074 5/20 0.87
PDE3B Q13370 5/20 0.87
PDE11A Q9HCR9 5/20 0.87
PDE7B Q9NP56 5/20 0.87
PDE10A Q9Y233 5/20 0.87
PDE2A O00408 4/20 0.87
PDE8A O60658 4/20 0.87
PDE9A O76083 3/20 0.81
PDE1B Q01064 1/20 0.70
PDE4B Q07343 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70

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
SCHEMBL10201366 0.97 PDE4A (0.92) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19134017 0.93 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL4920743 0.93 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8048554 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL17366408 0.91 PDE4A (0.84) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL8058077 0.91 PDE4A (0.86) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL4912869 0.90 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL19134015 0.90 PDE4A (1.00) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL10201377 0.90 PDE4A (0.81) PDE4APDE5APDE3BPDE11APDE7B
SCHEMBL18380625 0.90 PDE4A (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9545406-B2 Method of treating a CNS injury with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-17 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE4A 9/4885PDE5A 1/4885PDE3B 5/4885

“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.