SCHEMBL871463

SCHEMBL871463

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCN(CCO)CC5)cc4)c3)c2=O)CC1)c1cn2c(n1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.42
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
PRKAA2 P54646 4/20 0.36
AVPR1B P47901 2/20 0.35
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
ROCK1 Q13464 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
SCHEMBL3022910 1.00 PDE4B (0.42) PDE4BHDAC1HDAC2PRKAA2AVPR1B
SCHEMBL3018305 0.99 PDE4B (0.42) PDE4BHDAC1HDAC2PRKAA2WNT1
SCHEMBL871866 0.99 PDE4B (0.42) PDE4BHDAC1HDAC2PRKAA2WNT1
SCHEMBL870919 0.95 PDE4B (0.44) PDE4BHDAC1HDAC2PRKAA2AVPR1B
SCHEMBL870918 0.95 PDE4B (0.44) PDE4BHDAC1HDAC2PRKAA2AVPR1B
SCHEMBL871563 0.94 PDE4B (0.43) PDE4BHDAC1HDAC2PRKAA2CNR2
SCHEMBL871562 0.94 PDE4B (0.43) PDE4BHDAC1HDAC2PRKAA2CNR2
SCHEMBL3023524 0.93 PDE4B (0.47) PDE4BHDAC1HDAC2PRKAA2WNT1
SCHEMBL871170 0.93 PDE4B (0.47) PDE4BHDAC1HDAC2PRKAA2WNT1
SCHEMBL871931 0.91 PDE4B (0.43) PDE4BHDAC1HDAC2PRKAA2CNR2

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 8 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-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-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

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 2/4885HDAC1 596/4885HDAC2 899/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HDAC1 596/4885HDAC2 899/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885HDAC1 526/4885HDAC2 666/4885

“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.