SCHEMBL869698

SCHEMBL869698

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3ccc(Cc4ccccc4)cc3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.45
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TNKS O95271 1/20 0.36
PDE4D Q08499 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 4/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
TP53 P04637 1/20 0.34
MAPK8 P45983 1/20 0.34
PRKAA2 P54646 1/20 0.34

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
SCHEMBL869699 1.00 PDE4B (0.45) PDE4BKDM4ESMN1; SMN2HSD17B10TNKS
SCHEMBL871483 0.88 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10TNKS
SCHEMBL871484 0.88 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10TNKS
SCHEMBL870787 0.88 PDE4B (0.46) PDE4BTNKSPDE4DEGLN1NPC1
SCHEMBL870786 0.88 PDE4B (0.46) PDE4BTNKSPDE4DEGLN1NPC1
SCHEMBL872761 0.88 TNKS (0.43) PDE4BKDM4ESMN1; SMN2HSD17B10TNKS
SCHEMBL872762 0.88 TNKS (0.43) PDE4BKDM4ESMN1; SMN2HSD17B10TNKS
SCHEMBL871613 0.87 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10EGLN1
SCHEMBL871612 0.87 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10EGLN1
SCHEMBL3018919 0.87 PDE4B (0.49) PDE4BPDE4DEGLN1CNR2CNR1

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 11 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-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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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.