SCHEMBL871855

SCHEMBL871855

CSc1ccccc1-c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.45
HPGDS O60760 2/20 0.35
PDE4D Q08499 5/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
TTK P33981 1/20 0.33
TNKS O95271 1/20 0.33
CNR1 P21554 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
TGFBR1 P36897 1/20 0.33
ABL1 P00519 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3026093 1.00 PDE4B (0.45) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL871134 0.91 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL3016921 0.91 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL871372 0.90 PDE4B (0.43) PDE4BHPGDSPDE4DTTKTNKS
SCHEMBL3022897 0.90 PDE4B (0.43) PDE4BHPGDSPDE4DTTKTNKS
SCHEMBL870787 0.90 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870786 0.90 PDE4B (0.46) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL870054 0.90 PDE4B (0.47) PDE4BHPGDSPDE4DPDE4APDE4C
SCHEMBL872524 0.90 PDE4B (0.43) PDE4BHPGDSPDE4DTNKSCNR1
SCHEMBL3030939 0.90 PDE4B (0.43) PDE4BHPGDSPDE4DTNKSCNR1

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 10 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-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 2/4885HPGDS 351/4885PDE4D 11/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885HPGDS 351/4885PDE4D 11/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885HPGDS 784/4885PDE4D 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.