SCHEMBL10272053

SCHEMBL10272053

CN1CCCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)OC(C)(C)C)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PDE4B Q07343 5/20 0.38
DRD2 P14416 1/20 0.37
AKT1 P31749 1/20 0.37
JAK1 P23458 1/20 0.36
CHKA P35790 2/20 0.36
AVPR1B P47901 1/20 0.36
SLC2A1 P11166 2/20 0.36
AXL P30530 3/20 0.35
FLT3 P36888 3/20 0.35
TYRO3 Q06418 3/20 0.35
MERTK Q12866 3/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
MAP4K4 O95819 1/20 0.35
NTRK1 P04629 1/20 0.35
MELK Q14680 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
SLK Q9H2G2 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
SCHEMBL8193271 1.00 PARP1 (0.38) PARP1PARP2PDE4BDRD2AKT1
SCHEMBL10271618 0.94 PDE4B (0.36) PARP1PARP2PDE4BCHKAAVPR1B
SCHEMBL8184886 0.94 PDE4B (0.36) PARP1PARP2PDE4BCHKAAVPR1B
SCHEMBL10271617 0.93 PDE4B (0.41) PARP1PARP2PDE4BAKT1JAK1
SCHEMBL8178573 0.92 AXL (0.35) PARP1PARP2PDE4BCHKAAVPR1B
SCHEMBL8170677 0.92 AXL (0.35) PARP1PARP2PDE4BCHKAAVPR1B
SCHEMBL10271513 0.92 AXL (0.35) PARP1PARP2PDE4BCHKAAVPR1B
SCHEMBL10271900 0.92 AXL (0.35) PARP1PARP2PDE4BCHKAAVPR1B
SCHEMBL8187089 0.91 PDE4B (0.38) PDE4BCHKAAVPR1BSLC2A1AXL
SCHEMBL870597 0.91 PDE4B (0.38) PDE4BCHKAAVPR1BSLC2A1AXL

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
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

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 PARP1 815/4885PARP2 1491/4885PDE4B 2/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PARP1 815/4885PARP2 1491/4885PDE4B 2/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PARP1 618/4885PARP2 997/4885PDE4B 2/4885

“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.