SCHEMBL4060446

SCHEMBL4060446

Nc1cc(-c2cc([N+](=O)[O-])c(N)nc2-c2cccs2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.47
ADK P55263 3/20 0.40
EIF4E P06730 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
HTT P42858 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERN1 O75460 1/20 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
SCHEMBL4060442 0.90 ADK (0.42) ADKEIF4EALDH1A1KDM4EMAPT
SCHEMBL4052643 0.80 DYRK1A (0.49) DYRK1AEIF4EKDM4EMAPTMEN1
SCHEMBL4052085 0.80 DYRK1A (0.47) DYRK1AALDH1A1KDM4EMAPTMEN1
SCHEMBL3790046 0.78 DYRK1A (0.45) DYRK1AALDH1A1MAPTL3MBTL1DHFR
SCHEMBL3792529 0.77 DYRK1A (0.50) DYRK1AALDH1A1KDM4EMAPTMEN1
SCHEMBL4052650 0.77 CTSB (0.41) ADKEIF4EALDH1A1KDM4EMAPT
SCHEMBL3793025 0.76 AAK1 (0.43) DYRK1AMEN1KMT2ACYP1A2CYP2C19
SCHEMBL3791614 0.75 DYRK1A (0.45) DYRK1AALDH1A1MAPTMEN1KMT2A
SCHEMBL3789859 0.73 RAB9A (0.40) ADKMAPTMEN1KMT2ACYP1A2
SCHEMBL16685892 0.71 KDM4E (0.47) EIF4EALDH1A1KDM4EMAPTMEN1

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 3 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
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 DYRK1A 3427/4885ADK 29/4885EIF4E 3462/4885

“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.