SCHEMBL3786022

SCHEMBL3786022

Cc1nc2c(cc1Cc1ccccc1)C[C@H](N)C(=O)N2OC(=O)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 16/20 0.46
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KYAT3 Q6YP21 2/20 0.32
HRH1 P35367 1/20 0.32
HPGD P15428 1/20 0.32
KYAT1 Q16773 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL3771941 0.79 AADAT (0.69) AADATKYAT3KYAT1
SCHEMBL3779609 0.71 AADAT (0.54) AADATKYAT3KYAT1
SCHEMBL3780383 0.69 AADAT (0.54) AADATKYAT3
SCHEMBL3783811 0.68 AADAT (0.64) AADATKYAT3KYAT1
SCHEMBL16613089 0.66 AADAT (0.46) AADATKYAT3KYAT1
SCHEMBL3774777 0.64 AADAT (0.48) AADATKYAT3KYAT1
SCHEMBL3768913 0.64 AADAT (1.00) AADATKYAT3KYAT1
SCHEMBL6763779 0.62 AADAT (0.56) AADATKYAT3KYAT1
SCHEMBL3779850 0.62 AADAT (0.46) AADATKYAT3KYAT1
SCHEMBL3786087 0.61 PYGL (0.40)

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B AADAT 2284/4885PDE3B 4472/4885PDE3A 4595/4885

“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.