Sugi Predict

Sugi Predict / Compounds / SCHEMBL8178273

SCHEMBL8178273

SCHEMBL8178273

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(O)cc4C=O)c3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ TNF P01375 3/20 0.34
▸ LITAF Q99732 3/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ PDE4B Q07343 6/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL10271672 0.95 TNF (0.36) PIK3CAMTORPRKDCALOX5APFEN1
SCHEMBL3022948 0.90 PDE4B (0.34) PIK3CATNFLITAFPDE4BCYP3A4
SCHEMBL3022944 0.90 PDE4B (0.34) PIK3CATNFLITAFPDE4BCYP3A4
SCHEMBL10271899 0.88 PDE4B (0.45) PIK3CAMTORPRKDCTNFLITAF
SCHEMBL8177708 0.87 PIK3CA (0.35) PIK3CAMTORPRKDCALOX5APFEN1
SCHEMBL10271512 0.87 JAK1 (0.37) PIK3CAMTORPRKDCALOX5APFEN1
SCHEMBL8168457 0.87 CKS1B (0.42) PIK3CAMTORPRKDCALOX5APFEN1
SCHEMBL870811 0.87 CKS1B (0.42) PIK3CAMTORPRKDCALOX5APFEN1
SCHEMBL10221633 0.87 CKS1B (0.42) PIK3CAMTORPRKDCALOX5APFEN1
SCHEMBL10271505 0.86 PIK3CA (0.40) PIK3CAMTORPRKDCALOX5APFEN1

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 7 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
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 PIK3CA 859/4885MTOR 3031/4885PRKDC 3085/4885
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.