SCHEMBL3023409

SCHEMBL3023409

Cc1ccccc1-c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)O)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.39
GRIN1 Q05586 2/20 0.39
PDE4B Q07343 6/20 0.37
PDE4D Q08499 6/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
MAPK14 Q16539 4/20 0.36
KIT P10721 3/20 0.36
LCK P06239 2/20 0.36
KDR P35968 2/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MGLL Q99685 1/20 0.36
ABL1 P00519 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL3023413 1.00 GRIN2B (0.39) GRIN2BGRIN1PDE4BPDE4DPDE4A
SCHEMBL10271505 0.90 PIK3CA (0.40) GRIN2BGRIN1MGLLBTKTNF
SCHEMBL8176241 0.90 PIK3CA (0.40) GRIN2BGRIN1MGLLBTKTNF
SCHEMBL3030831 0.89 PDE4B (0.40) GRIN2BGRIN1PDE4BPDE4DPDE4A
SCHEMBL3030829 0.89 PDE4B (0.40) GRIN2BGRIN1PDE4BPDE4DPDE4A
SCHEMBL3916330 0.89 PDE4B (0.34) GRIN2BGRIN1PDE4BPDE4DPDE4A
SCHEMBL4233037 0.89 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL4233040 0.89 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CTNF
SCHEMBL870247 0.88 RIPK2 (0.35) GRIN2BGRIN1PDE4BPDE4DMGLL
SCHEMBL870246 0.88 RIPK2 (0.35) GRIN2BGRIN1PDE4BPDE4DMGLL

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 3 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-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 (2 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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B GRIN2B 3964/4885GRIN1 3962/4885PDE4B 2/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A GRIN2B 4188/4885GRIN1 4394/4885PDE4B 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.