SCHEMBL15942829

SCHEMBL15942829

CC(C)c1nncc2[nH]c(=O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 18/20 0.44
PDE3A Q14432 18/20 0.44
MAPK1 P28482 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL17269423 0.77 PDE3B (0.56) PDE3BPDE3A
SCHEMBL10810836 0.75 PDE3B (0.71) PDE3BPDE3A
SCHEMBL18238083 0.74 BRD4 (0.32)
SCHEMBL2739294 0.73 PDE3B (0.59) PDE3BPDE3AMAPK1KDM5A
SCHEMBL24996942 0.72 PDE3B (0.43) PDE3BPDE3AMAPK1
SCHEMBL12946582 0.71 PDE3B (0.36) PDE3BPDE3A
SCHEMBL18237685 0.69
SCHEMBL18238084 0.69 PDE3A (0.40) PDE3BPDE3AMAPK1
SCHEMBL18238082 0.68 METAP2 (0.37)
SCHEMBL18237952 0.66 CYP1A2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2016-06-02 US disclosed
US-20140309216-A1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-16 US disclosed
US-8802670-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2014-08-12 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 (2 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-20140309216-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PDE3B 1701/4885PDE3A 1396/4885MAPK1 80/4885
US-20160152632-A9 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, AKT3 PDE3B 1701/4885PDE3A 1396/4885MAPK1 80/4885

“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.