Sugi Predict

Sugi Predict / Compounds / SCHEMBL10271891

SCHEMBL10271891

SCHEMBL10271891

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ PLK1 P53350 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
SCHEMBL3011812 0.91 ATM (0.43) ATMKMT2AMEN1F10KDM4E
SCHEMBL3023161 0.91 ATM (0.43) ATMKMT2AMEN1F10KDM4E
SCHEMBL871558 0.88 PIK3CA (0.40) KMT2AL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL871559 0.88 PIK3CA (0.40) KMT2AL3MBTL1OPRM1OPRD1OPRK1
SCHEMBL870868 0.86 ATM (0.45) ATMKMT2AMEN1F10KDM4E
SCHEMBL869730 0.86 PIK3CA (0.41) OPRM1OPRD1OPRK1OGFRL1PIK3CA
SCHEMBL869731 0.86 PIK3CA (0.41) OPRM1OPRD1OPRK1OGFRL1PIK3CA
SCHEMBL10222006 0.86 ATM (0.45) ATMKMT2AMEN1F10KDM4E
SCHEMBL871709 0.86 ATM (0.42) ATMKMT2AOPRM1OPRD1MEN1
SCHEMBL871710 0.86 ATM (0.42) ATMKMT2AOPRM1OPRD1MEN1

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
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 ATM 2403/4885KMT2A 3697/4885L3MBTL1 4837/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ATM 2403/4885KMT2A 3697/4885L3MBTL1 4837/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ATM 1581/4885KMT2A 2669/4885L3MBTL1 4792/4885

“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.