SCHEMBL9544742

SCHEMBL9544742

Cc1nc2ncnc(Cl)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 1/20 0.44
EGLN1 Q9GZT9 1/20 0.42
NUDT1 P36639 3/20 0.41
KDM4E B2RXH2 2/20 0.40
DYRK1A Q13627 1/20 0.38
CSNK2A1 P68400 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
KIT P10721 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 2/20 0.34
POLB P06746 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
SCHEMBL6016629 0.81 EGLN1 (0.43) EGLN1NUDT1KDM4EDYRK1AADORA2A
SCHEMBL3857164 0.79 AKT2 (0.44) AKT2NUDT1KDM4ECSNK2A1ADORA3
SCHEMBL11878666 0.79 EGLN1 (0.40) EGLN1NUDT1KDM4EDYRK1AADORA2A
SCHEMBL30534246 0.78 AKT2 (0.46) AKT2NUDT1CSNK2A1ADORA3KIT
SCHEMBL10910539 0.78 ADORA2A (0.61) EGLN1NUDT1KDM4EDYRK1ACSNK2A1
SCHEMBL1868817 0.78 ADORA2A (0.43) EGLN1NUDT1KDM4EDYRK1AADORA2A
SCHEMBL5848453 0.77 PI4KA (0.45) EGLN1NUDT1KDM4EDYRK1AADORA3
SCHEMBL30109321 0.75 NUDT1 (0.68) AKT2NUDT1KDM4EADORA2AADORA1
SCHEMBL1059581 0.75 NUDT1 (0.68) AKT2NUDT1KDM4EADORA2AADORA1
SCHEMBL8906323 0.75 AKT2 (0.44) AKT2NUDT1CSNK2A1ADORA3KIT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036235-B1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2017-04-19 EP disclosed
EP-3036235-A1 NEW BIS-AMIDO PYRIDINES Boehringer Ingelheim International GmbH (DE) 2016-06-29 EP disclosed
US-9249151-B2 Bis-amido pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
WO-2015025018-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 WO disclosed
US-20150057286-A1 NEW BIS-AMIDO PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-26 US disclosed
WO-1993018035-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 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 (1 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-20150057286-A1 NEW BIS-AMIDO PYRIDINES SMARCC1, MKI67, SMARCC2 AKT2 2729/4885EGLN1 1248/4885NUDT1 434/4885

“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.