SCHEMBL4049446

SCHEMBL4049446

Nc1cc(-c2ccnc(N)c2N)c(-c2ccco2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
PKM P14618 3/20 0.42
ALOX15 P16050 3/20 0.42
CASP1 P29466 3/20 0.42
BLM P54132 3/20 0.42
CASP7 P55210 3/20 0.42
HSD17B10 Q99714 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
PTPN7 P35236 2/20 0.42
RECQL P46063 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL3786302 0.81 MAP4K4 (0.35) MEN1KMT2AADORA2AADORA1ADORA2B
SCHEMBL3792272 0.79 ADORA2A (0.33) HPGDADORA2AADORA1ADORA2B
SCHEMBL4049442 0.79 PIK3R1 (0.54) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL4049097 0.77 ADORA2B (0.64) ADORA2AADORA1ADORA2B
SCHEMBL4049926 0.77 KDM4E (0.45) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL4049734 0.74 FYN (0.42) MEN1MAPTKMT2AKDM4EADORA2A
SCHEMBL4050628 0.74 ALDH1A1 (0.46) MEN1ALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL4369855 0.68 CDK5 (0.58) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL31058882 0.66 SMARCA2 (0.51) MEN1ALDH1A1POLBMAPTKMT2A
SCHEMBL26151953 0.66 SMARCA2 (0.51) MEN1ALDH1A1POLBMAPTKMT2A

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 4 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 claimed
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 MEN1 4583/4885ALDH1A1 621/4885POLB 447/4885

“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.