SCHEMBL870872

SCHEMBL870872

CN(Cc1ccccc1)C(=O)c1cccc(-n2c(=O)n(C3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.43
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
TNKS O95271 1/20 0.34
HPGDS O60760 2/20 0.33
MAPK14 Q16539 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MEN1 O00255 1/20 0.33
F10 P00742 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
SCHEMBL870871 1.00 PDE4B (0.43) PDE4BATMKDM4ESMN1; SMN2HSD17B10
SCHEMBL871612 0.89 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL871613 0.89 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL870898 0.88 PDE4B (0.47) PDE4BNPC1RAB9ATNKSHPGDS
SCHEMBL870899 0.88 PDE4B (0.47) PDE4BNPC1RAB9ATNKSHPGDS
SCHEMBL3011812 0.87 ATM (0.43) PDE4BATMKDM4EKMT2AMAPK14
SCHEMBL3023161 0.87 ATM (0.43) PDE4BATMKDM4EKMT2AMAPK14
SCHEMBL3011847 0.87 PDE4B (0.50) PDE4BKDM4ESMN1; SMN2HSD17B10HPGDS
SCHEMBL870870 0.87 PDE4B (0.50) PDE4BKDM4ESMN1; SMN2HSD17B10HPGDS
SCHEMBL870427 0.87 PDE4B (0.44) PDE4BNPC1RAB9ATNKSHPGDS

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 4 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-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 2/4885ATM 2403/4885KDM4E 1494/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885ATM 2403/4885KDM4E 1494/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885ATM 1581/4885KDM4E 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.