SCHEMBL872014

SCHEMBL872014

CN(C)CCCOc1cc(F)ccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.50
ATM Q13315 5/20 0.35
PIK3CA P42336 4/20 0.35
MTOR P42345 4/20 0.35
HPGDS O60760 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL872013 1.00 PDE4B (0.50) PDE4BATMPIK3CAMTORHPGDS
SCHEMBL870505 0.97 PDE4B (0.51) PDE4BHPGDSCNR2
SCHEMBL870504 0.97 PDE4B (0.51) PDE4BHPGDSCNR2
SCHEMBL870637 0.90 PDE4B (0.58) PDE4BHPGDSKCNH2
SCHEMBL870636 0.90 PDE4B (0.58) PDE4BHPGDSKCNH2
SCHEMBL870852 0.89 PDE4B (0.48) PDE4BHPGDSCNR2
SCHEMBL870851 0.89 PDE4B (0.48) PDE4BHPGDSCNR2
SCHEMBL871876 0.88 PDE4B (0.48) PDE4BHPGDSKCNH2
SCHEMBL871877 0.88 PDE4B (0.48) PDE4BHPGDSKCNH2
SCHEMBL871749 0.88 PDE4B (0.54) PDE4BHPGDSCNR2

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-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ATM 2403/4885PIK3CA 859/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ATM 1581/4885PIK3CA 273/4885

“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.