SCHEMBL870833

SCHEMBL870833

O=C(NC1CCC(NC(=O)c2cc(F)cnc2NCCc2ccccc2)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.51
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
TTK P33981 2/20 0.40
MAPK14 Q16539 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MCHR1 Q99705 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ASPH Q12797 1/20 0.37
RIOX2 Q8IUF8 1/20 0.37
KDM8 Q8N371 1/20 0.37

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
SCHEMBL870832 1.00 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10MEN1
SCHEMBL869488 0.86 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL869489 0.86 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL871833 0.81 PDE4B (0.48) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL871834 0.81 PDE4B (0.48) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL8177936 0.80 PDE4B (0.48) PDE4BKDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL870222 0.79 PDE4B (0.50) PDE4BNPC1RAB9A
SCHEMBL870221 0.79 PDE4B (0.50) PDE4BNPC1RAB9A
SCHEMBL870819 0.78 PDE4B (0.49) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL870820 0.78 PDE4B (0.49) PDE4BKDM4ESMN1; SMN2HSD17B10

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 4 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
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 (3 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 2/4885KDM4E 1494/4885SMN1; SMN2 2231/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885KDM4E 1494/4885SMN1; SMN2 2231/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885KDM4E 525/4885SMN1; SMN2 1660/4885

“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.