SCHEMBL872059

SCHEMBL872059

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCNCC5)cc4)c3)c2=O)CC1)c1ccc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.40
PRKAA2 P54646 5/20 0.38
AVPR1B P47901 2/20 0.37
CYP3A4 P08684 1/20 0.37
KDM1A O60341 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL872060 1.00 PDE4B (0.40) PDE4BPRKAA2AVPR1BCYP3A4KDM1A
SCHEMBL871660 0.94 PDE4B (0.40) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL871661 0.94 PDE4B (0.40) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL870718 0.92 PDE4B (0.43) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL871975 0.92 PDE4B (0.41) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL871976 0.92 PDE4B (0.41) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL870719 0.92 PDE4B (0.43) PDE4BPRKAA2AVPR1BCYP3A4
SCHEMBL871791 0.89 SIRT1 (0.38) PDE4BAVPR1BCYP3A4KDM1A
SCHEMBL871792 0.89 SIRT1 (0.38) PDE4BAVPR1BCYP3A4KDM1A
SCHEMBL3016550 0.88 PDE4B (0.49) PDE4BPRKAA2CYP3A4

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 10 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-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 2/4885PRKAA2 1754/4885AVPR1B 1234/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PRKAA2 1754/4885AVPR1B 1234/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PRKAA2 1416/4885AVPR1B 1852/4885

“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.