SCHEMBL4059417

SCHEMBL4059417

CSc1nccc(-c2cc(C#N)c(=O)[nH]c2-c2ccco2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 12/20 0.40
HPGD P15428 9/20 0.40
MEN1 O00255 9/20 0.40
KMT2A Q03164 9/20 0.40
POLB P06746 5/20 0.40
MAPT P10636 5/20 0.40
RECQL P46063 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
THRB P10828 1/20 0.40
PABPC1 P11940 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 4/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
BLM P54132 3/20 0.37
GLA P06280 3/20 0.37
GAA P10253 3/20 0.37

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
SCHEMBL4049264 0.81 ADORA2B (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7670220 0.78 MAPK14 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4051659 0.77 LMNA (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3835079 0.76 KDM4E (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL30107961 0.72 KDM4E (0.53) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11020701 0.67 KDM4E (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL10810736 0.66 PDE3B (0.60) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4049926 0.66 KDM4E (0.45) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4054613 0.66 ADORA2B (0.67) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4049370 0.65 ADORA2B (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A

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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
US-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-01-22 US disclosed
EP-1735310-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2006-12-27 EP disclosed
WO-2005100353-A1 CONDENSED PYRIDINE DERIVATIVES USEFUL AS A28 ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL PRODESFARMA, SA (ES) 2005-10-27 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-20090023763-A1 Condensed Pyridine Derivatives Useful as A2B Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 ALDH1A1 621/4885KDM4E 4381/4885HPGD 480/4885

“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.