SCHEMBL5046537

SCHEMBL5046537

O=c1[nH]c2ccncc2cc1-c1c(Cl)cc([N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
CHUK O15111 1/20 0.39
GALR3 O60755 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE7A Q13946 1/20 0.37
PDE7B Q9NP56 1/20 0.37
NPBWR1 P48145 3/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36

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
SCHEMBL928513 0.84 DAO (0.46) DAOGRIA1GRIA2GRIA3GRIA4
SCHEMBL5048118 0.82 DAO (0.44) DAOCHUKGALR3PDE3BPDE3A
SCHEMBL10379015 0.81 DAO (0.50) DAOPDE3BPDE3AGRIA1GRIA2
SCHEMBL8146950 0.71 DAO (0.54) DAOPDE3BPDE3AALDH1A1CDK5
SCHEMBL5046548 0.71 DAO (0.50) DAOPDE3BPDE3AALDH1A1CDK5
SCHEMBL11034067 0.69 DAO (0.58) DAOCHUKPDE3BPDE3AGRIN2D
SCHEMBL10837829 0.68 DAO (0.60) DAOPDE3BPDE3AALDH1A1CDK5
SCHEMBL5207806 0.66 KDR (0.74) DAOCDK5CDK5R1
SCHEMBL21957317 0.65 DAO (0.65) DAOPDE3BPDE3A
SCHEMBL31475468 0.65 DAO (0.65) DAOCHUKPDE3BPDE3A

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-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 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-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC DAO 4167/4885CHUK 118/4885GALR3 2378/4885

“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.