SCHEMBL869731

SCHEMBL869731

COC(=O)c1cccc(-n2c(=O)n(C3CCC(NC(=O)OC(C)(C)C)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PRKDC P78527 1/20 0.41
JAK1 P23458 5/20 0.39
JAK2 O60674 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
TNF P01375 5/20 0.38
LITAF Q99732 5/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
KDM4D Q6B0I6 1/20 0.37
PLK1 P53350 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL869730 1.00 PIK3CA (0.41) PIK3CAMTORPRKDCJAK1JAK2
SCHEMBL871559 0.93 PIK3CA (0.40) PIK3CAMTORPRKDCJAK1JAK2
SCHEMBL871558 0.93 PIK3CA (0.40) PIK3CAMTORPRKDCJAK1JAK2
SCHEMBL4879082 0.91 PDE4B (0.38) TNFLITAFPDE4BPDE4DPDE4A
SCHEMBL4879091 0.91 PDE4B (0.38) TNFLITAFPDE4BPDE4DPDE4A
SCHEMBL4870413 0.90 PDE4B (0.40) JAK1JAK2TNFLITAFPDE4B
SCHEMBL4870421 0.90 PDE4B (0.40) JAK1JAK2TNFLITAFPDE4B
SCHEMBL870091 0.89 PIK3CA (0.40) PIK3CAMTORPRKDCJAK1JAK2
SCHEMBL8178696 0.89 PIK3CA (0.40) PIK3CAMTORPRKDCJAK1JAK2
SCHEMBL870811 0.88 CKS1B (0.42) PIK3CAMTORPRKDCJAK1JAK2

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 5 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
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases ASTRAZENECA AB (SE) 2008-09-18 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 (4 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 PIK3CA 859/4885MTOR 3031/4885PRKDC 3085/4885
US-20080227797-A1 Pyridopyrimidine Derivatives as Pde4 Inhibitors for the Treatment of Inflammatory and Immune Diseases PDE4A, PDE4B, PDE5A PIK3CA 266/4885MTOR 1925/4885PRKDC 1923/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PIK3CA 859/4885MTOR 3031/4885PRKDC 3085/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PIK3CA 273/4885MTOR 2247/4885PRKDC 1819/4885

“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.