SCHEMBL870811

SCHEMBL870811

CC(C)(C)OC(=O)NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccccc4)c3)c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PRKDC P78527 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
JAK1 P23458 5/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 2/20 0.38
MAPK8 P45983 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TNF P01375 1/20 0.37
LITAF Q99732 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL10221633 1.00 CKS1B (0.42) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL8168457 1.00 CKS1B (0.42) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL8177621 0.95 PIK3CA (0.40) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL10271581 0.95 PIK3CA (0.40) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL10271512 0.93 JAK1 (0.37) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL13234533 0.93 KCNH2 (0.43) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL10272129 0.92 KDM4D (0.41) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL10271505 0.92 PIK3CA (0.40) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL8176241 0.92 PIK3CA (0.40) CKS1BSKP1SKP2PIK3CAMTOR
SCHEMBL8177498 0.91 PIK3CA (0.39) CKS1BSKP1SKP2PIK3CAMTOR

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
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO 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 CKS1B 2202/4885SKP1 4026/4885SKP2 3302/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B CKS1B 2202/4885SKP1 4026/4885SKP2 3302/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A CKS1B 1116/4885SKP1 1855/4885SKP2 2026/4885

“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.