SCHEMBL3022989

SCHEMBL3022989

CNC1CCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)c6cn7cc(F)ccc7n6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.52
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKAA2 P54646 5/20 0.42
CNR2 P34972 1/20 0.38
SSTR5 P35346 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
SCHEMBL3022993 1.00 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL3032429 0.94 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL3032431 0.94 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL524054 0.92 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL871997 0.92 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL3017025 0.92 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL524053 0.92 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL870077 0.92 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL870625 0.92 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL870624 0.92 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2

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 2/4885KDM4E 1494/4885SMN1; SMN2 2231/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885KDM4E 1494/4885SMN1; SMN2 2231/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885KDM4E 525/4885SMN1; SMN2 1660/4885

“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.