SCHEMBL4055282

SCHEMBL4055282

Nc1nc(-c2cccc(F)c2)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.41
DPP4 P27487 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 2/20 0.39
ADORA2B P29275 1/20 0.39
FBP1 P09467 2/20 0.39
MGMT P16455 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAP4K4 O95819 3/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
EIF4E P06730 1/20 0.37
CHUK O15111 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
SCHEMBL3791733 0.80 ADORA2B (0.46) CTSBADORA2AADORA2BKDM4EMAPT
SCHEMBL4052641 0.80 ADORA2A (0.48) DPP4ADORA2AADORA1ADORA2BMEN1
SCHEMBL3791610 0.79 CTSB (0.41) CTSBADORA2AADORA2BMEN1KMT2A
SCHEMBL995894 0.78 CTSB (0.44) CTSBDPP4ADORA2AMGMTMEN1
SCHEMBL3791734 0.78 DHFR (0.40) CTSBMEN1KMT2AMAPTMAP4K4
SCHEMBL4052643 0.77 DYRK1A (0.49) DPP4ADORA2AADORA1ADORA2BMGMT
SCHEMBL3791614 0.77 DYRK1A (0.45) CTSBADORA2AADORA2BMEN1KMT2A
SCHEMBL24549836 0.75 ALDH1A1 (0.44) CTSBMEN1KMT2AMAPTATM
SCHEMBL4054189 0.73 PIK3R1 (0.47) CTSBADORA2AADORA1ADORA2BMEN1
SCHEMBL4052650 0.73 CTSB (0.41) CTSBADORA2AADORA1MEN1KMT2A

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
CN-1942469-B Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB 2010-07-07 CN 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
CN-1942469-A Condensed pyridine derivatives useful as A28 adenosine receptor antagonists ALMIRALL LAB (ES) 2007-04-04 CN 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 CTSB 1190/4885DPP4 3181/4885ADORA2A 2/4885

“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.