SCHEMBL871826

SCHEMBL871826

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCNCC5)cc4O)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
PRKAA2 P54646 1/20 0.36
PDE4D Q08499 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KISS1R Q969F8 2/20 0.35
SSTR5 P35346 1/20 0.34
ACKR3 P25106 1/20 0.34
CCR3 P51677 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
IDO2 Q6ZQW0 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
SCHEMBL871827 1.00 PDE4B (0.46) PDE4BPRKAA2PDE4DKCNH2KDM4E
SCHEMBL872079 0.95 PDE4B (0.44) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL872080 0.95 PDE4B (0.44) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL524053 0.94 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL870077 0.94 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL524054 0.94 PDE4B (0.52) PDE4BPRKAA2KDM4ESMN1; SMN2HSD17B10
SCHEMBL871651 0.93 PDE4B (0.45) PDE4BPRKAA2PDE4DKCNH2KDM4E
SCHEMBL871650 0.93 PDE4B (0.45) PDE4BPRKAA2PDE4DKCNH2KDM4E
SCHEMBL10221938 0.92 PDE4B (0.55) PDE4BKCNH2
SCHEMBL871876 0.90 PDE4B (0.48) PDE4BPDE4DKCNH2

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 9 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
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 1754/4885PDE4D 11/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PRKAA2 1754/4885PDE4D 11/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PRKAA2 1416/4885PDE4D 10/4885

“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.