SCHEMBL872016

SCHEMBL872016

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCOCC5)cc4)c3)c2=O)CC1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.47
ACKR3 P25106 6/20 0.41
JAK1 P23458 3/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
ADRB2 P07550 1/20 0.37
POLB P06746 1/20 0.36
AVPR1B P47901 1/20 0.36

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
SCHEMBL3018346 0.93 PDE4B (0.49) PDE4BCNR1CNR2ADRB2AVPR1B
SCHEMBL3018341 0.93 PDE4B (0.49) PDE4BCNR1CNR2ADRB2AVPR1B
SCHEMBL10271898 0.89 PDE4B (0.47) PDE4BJAK1CNR1CNR2
SCHEMBL870188 0.88 PDE4B (0.41) PDE4BJAK2POLB
SCHEMBL870187 0.88 PDE4B (0.41) PDE4BJAK2POLB
SCHEMBL870990 0.88 ACKR3 (0.41) PDE4BACKR3CNR2ADRB2POLB
SCHEMBL3029968 0.86 PDE4B (0.42) PDE4BCNR1CNR2
SCHEMBL870829 0.86 PDE4B (0.42) PDE4BCNR1CNR2
SCHEMBL3016547 0.86 ACKR3 (0.41) PDE4BACKR3ADRB2POLB
SCHEMBL871542 0.86 PDE4B (0.47) PDE4BCNR1CNR2

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
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-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 2/4885ACKR3 684/4885JAK1 1685/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ACKR3 684/4885JAK1 1685/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ACKR3 1691/4885JAK1 1906/4885

“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.