Sugi Predict

Sugi Predict / Compounds / SCHEMBL1165291

SCHEMBL1165291

SCHEMBL1165291

C=Cc1ccnc2nc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ BRD4 O60885 5/20 0.39
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ G6PD P11413 1/20 0.36
▸ CYP3A4 P08684 6/20 0.35
▸ CYP3A5 P20815 3/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ PDPK1 O15530 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 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
SCHEMBL2570932 0.81 ALDH1A1 (0.47) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL3974202 0.78 ALDH1A1 (0.46) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL19778900 0.69 ALDH1A1 (0.46) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL323982 0.69 ALDH1A1 (0.52) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL30788403 0.69 ALDH1A1 (0.46) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL1165562 0.69 ALDH1A1 (0.46) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL7108989 0.69 PI4KA (0.50) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL2493987 0.69 BRD4 (0.51) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL22830483 0.69 ALDH1A1 (0.46) ALDH1A1BRD4PI4KAPI4K2BPI4K2A
SCHEMBL29367441 0.69 PI4KA (0.50) ALDH1A1BRD4PI4KAPI4K2BPI4K2A

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-8058289-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO SA (CH) 2011-11-15 — — US disclosed
EP-1786812-B1 PYRIDINE METHYLENE AZOLIDINONES AND THEIR USE AS PHOSPHOINOSITIDE INHIBITORS MERCK SERONO SA (CH) 2011-11-09 — — EP disclosed
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-02-10 — — US disclosed
US-7842698-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO S.A. (CH) 2010-11-30 — — US disclosed
US-20080269227-A1 Pyridine Methylene Azolidinones and Use Thereof Phosphoinositide Inhibitors APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-10-30 — — 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-20080269227-A1 Pyridine Methylene Azolidinones and Use Thereof Phosphoinositide Inhibitors PIK3CD, PIK3CA, PIK3CB ALDH1A1 1437/4885BRD4 1907/4885PI4KA 9/4885
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN ALDH1A1 1232/4885BRD4 2012/4885PI4KA 10/4885

“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.