SCHEMBL871849

SCHEMBL871849

O=Cc1ccccc1-c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.45
HPGDS O60760 3/20 0.34
PDE4D Q08499 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TNKS O95271 1/20 0.32
CNR1 P21554 2/20 0.32
KCNH2 Q12809 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL871848 1.00 PDE4B (0.45) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870433 0.93 PDE4B (0.49) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870434 0.93 PDE4B (0.49) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL3016921 0.92 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL871134 0.92 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870787 0.91 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870786 0.91 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870054 0.90 PDE4B (0.47) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870053 0.90 PDE4B (0.47) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870703 0.90 PDE4B (0.45) PDE4BHPGDSPDE4DPDE4APDE4C

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-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 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 2/4885HPGDS 351/4885PDE4D 11/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HPGDS 351/4885PDE4D 11/4885

“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.