SCHEMBL4051006

SCHEMBL4051006

O=[N+]([O-])c1ccc(Cc2nc3ncc(-c4cc5ccccc5o4)cc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4051786 0.86 P2RY14 (0.43) MEN1KMT2AMAPTLMNANPC1
SCHEMBL4061552 0.86 NOS3 (0.41) GAAMAPTLMNANPC1RAB9A
SCHEMBL4063393 0.85 MKNK1 (0.39) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL13607991 0.85 RIPK1 (0.46) RIPK1GRIN1GRIN2BTNKSPARP1
SCHEMBL4056967 0.84 SMN1; SMN2 (0.39) GAAMAPTLMNANPC1RAB9A
SCHEMBL4063375 0.83 RIPK1 (0.46) RIPK1GRIN1GRIN2BMEN1KMT2A
SCHEMBL4054960 0.82 MAPT (0.36) GAAMAPTLMNANPC1RAB9A
SCHEMBL4055039 0.82 KIT (0.43) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL4060275 0.81 ADRA2A (0.36) GAAMAPTLMNANPC1RAB9A
SCHEMBL4058483 0.81 CYP11B1 (0.41) GRIN1GRIN2BMAPTLMNANPC1

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-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B RIPK1 1055/4885GRIN1 3175/4885GRIN2B 1116/4885

“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.