SCHEMBL1165775

SCHEMBL1165775

C=Cc1ccc2ncn(-c3ccc4c(c3)CCN4)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
MKNK2 Q9HBH9 1/20 0.36
DYRK1A Q13627 2/20 0.36
HCAR1 Q9BXC0 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 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
SCHEMBL1165308 0.91 DYRK1A (0.36) CYP11B2MKNK2DYRK1AHCAR1GABRP
SCHEMBL1165201 0.80 MGAM (0.45) CYP11B2MKNK2DYRK1A
SCHEMBL1165202 0.80 MGAM (0.45) CYP11B2MKNK2DYRK1A
SCHEMBL27703232 0.73 DRD2 (0.39) CYP11B2DRD2DRD4MAP3K11CRBN
SCHEMBL31144604 0.73 DYRK1A (0.38) CYP11B2MKNK2DYRK1AHCAR1GABRP
SCHEMBL1165240 0.72 ATM (0.49) CYP11B2ATM
SCHEMBL1166009 0.72 CYP11B2 (0.53) CYP11B2ALDH1A1
SCHEMBL1165258 0.72 PDE10A (0.47) HCAR1ALDH1A1
SCHEMBL14852087 0.71 JAK3 (0.44) ESR2ALDH1A1
SCHEMBL1165635 0.71 ATM (0.42) CYP11B2DYRK1ADRD2ATMHRH3

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 11 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
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-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 CYP11B2 1495/4885MKNK2 269/4885DYRK1A 3122/4885
US-20110034458-A1 PYRIDINE METHYLENE AZOLIDINONES AND USE THEREOF PHOSPHOINOSITIDE INHIBITORS PIK3CD, PIK3CA, PTEN CYP11B2 1298/4885MKNK2 271/4885DYRK1A 3298/4885

“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.