SCHEMBL870820

SCHEMBL870820

CC(C)CCCC(C)Nc1ncc(F)cc1C(=O)NC1CCC(NC(=O)c2cn3cc(F)ccc3n2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.49
HPGDS O60760 2/20 0.37
IRAK4 Q9NWZ3 3/20 0.37
USP30 Q70CQ3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NTRK1 P04629 2/20 0.36
JAK2 O60674 1/20 0.36
HRH1 P35367 1/20 0.35
CCR3 P51677 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
SCHEMBL870819 1.00 PDE4B (0.49) PDE4BHPGDSIRAK4USP30KDM4E
SCHEMBL870832 0.78 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL870833 0.78 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL869489 0.76 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL869488 0.76 PDE4B (0.51) PDE4BKDM4ESMN1; SMN2HSD17B10
SCHEMBL870222 0.76 PDE4B (0.50) PDE4BHPGDS
SCHEMBL870221 0.76 PDE4B (0.50) PDE4BHPGDS
SCHEMBL870056 0.76 PDE4B (0.46) PDE4BHPGDSUSP30KDM4ESMN1; SMN2
SCHEMBL870055 0.76 PDE4B (0.46) PDE4BHPGDSUSP30KDM4ESMN1; SMN2
SCHEMBL8177936 0.73 PDE4B (0.48) PDE4BHPGDSKDM4ESMN1; 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
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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 2/4885HPGDS 351/4885IRAK4 362/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HPGDS 351/4885IRAK4 362/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885HPGDS 784/4885IRAK4 467/4885

“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.