SCHEMBL10271668

SCHEMBL10271668

CC(C)N1CCN(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 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ACVR1 Q04771 2/20 0.38
AKT1 P31749 1/20 0.37
JAK1 P23458 1/20 0.37
PDE4B Q07343 7/20 0.36
TP53 P04637 1/20 0.36
VCP P55072 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
CNR2 P34972 1/20 0.34
HDAC1 Q13547 1/20 0.34
NSD2 O96028 1/20 0.34
PIK3CA P42336 1/20 0.34
PRKAA2 P54646 1/20 0.34

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
SCHEMBL8168986 1.00 PARP1 (0.39) PARP1PARP2ACVR1AKT1JAK1
SCHEMBL10271617 0.92 PDE4B (0.41) PARP1PARP2AKT1JAK1PDE4B
SCHEMBL3029083 0.91 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL3029088 0.91 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL871946 0.91 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL871947 0.91 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL10272053 0.91 PARP1 (0.38) PARP1PARP2AKT1JAK1PDE4B
SCHEMBL8193271 0.91 PARP1 (0.38) PARP1PARP2AKT1JAK1PDE4B
SCHEMBL871755 0.90 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1
SCHEMBL871756 0.90 ACVR1 (0.40) ACVR1PDE4BVCPCNR2HDAC1

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 1491/4885ACVR1 1110/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PARP1 815/4885PARP2 1491/4885ACVR1 1110/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PARP1 618/4885PARP2 997/4885ACVR1 551/4885

“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.