SCHEMBL1165233

SCHEMBL1165233

Brc1ccc2ncn(-c3ccccc3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
HTT P42858 2/20 0.49
HCAR1 Q9BXC0 1/20 0.45
FGFR1 P11362 8/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
EGFR P00533 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL31144585 0.83 RAB9A (0.44) PDE10AFGFR1HPGDPI4KAPI4K2B
SCHEMBL31144728 0.82 FGFR1 (0.42) PDE10AHTTHCAR1FGFR1ALDH1A1
SCHEMBL14851971 0.80 FGFR1 (0.51) FGFR1ALDH1A1HPGDMAPK1DYRK1A
SCHEMBL2194604 0.79 FGFR1 (0.50) PDE10AHTTHCAR1FGFR1SRC
SCHEMBL14851881 0.78 SRC (0.40) PDE10AHCAR1FGFR1SRCEGFR
SCHEMBL14851885 0.78 FGFR1 (0.58) PDE10AHCAR1FGFR1ALDH1A1
SCHEMBL30269616 0.78 DYRK1A (0.59) PDE10AHTTHCAR1FGFR1SRC
SCHEMBL1165312 0.76 HTT (0.43) HTTHCAR1FGFR1ALDH1A1HPGD
SCHEMBL19781256 0.76 FGFR1 (0.48) PDE10AHTTHCAR1FGFR1ALDH1A1
SCHEMBL14852170 0.76 GAA (0.44) ALDH1A1EGFR

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 13 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
US-8058289-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO SA (CH) 2011-11-15 US disclosed
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-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-02-10 US 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-7842698-B2 Pyridine methylene azolidinones and use thereof phosphoinositide inhibitors MERCK SERONO S.A. (CH) 2010-11-30 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
US-20080269227-A1 Pyridine Methylene Azolidinones and Use Thereof Phosphoinositide Inhibitors APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-10-30 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 PDE10A 445/4885HTT 3392/4885HCAR1 4458/4885
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN PDE10A 373/4885HTT 3784/4885HCAR1 4337/4885

“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.