SCHEMBL869880

SCHEMBL869880

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C(=O)OCc6ccccc6)CC5)cc4Br)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.42
PRKAA2 P54646 4/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
CCR3 P51677 2/20 0.33
SSTR5 P35346 1/20 0.32
ACKR3 P25106 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
SCHEMBL872080 0.89 PDE4B (0.44) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL872079 0.89 PDE4B (0.44) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871650 0.88 PDE4B (0.45) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871651 0.88 PDE4B (0.45) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL869879 0.87 PDE4B (0.41) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL869881 0.87 PDE4B (0.41) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871331 0.87 PDE4B (0.44) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL870961 0.86 TP53 (0.38) PRKAA2KDM4E
SCHEMBL871936 0.85 PDE4B (0.40) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871827 0.84 PDE4B (0.46) PDE4BPRKAA2KDM4ESMN1; 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 6 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-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 1754/4885KDM4E 1494/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PRKAA2 1754/4885KDM4E 1494/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PRKAA2 1416/4885KDM4E 525/4885

“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.