SCHEMBL4053176

SCHEMBL4053176

Brc1cnc2nc(-c3ccccn3)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.63
METAP1 P53582 9/20 0.63
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
LMNA P02545 3/20 0.53
PKM P14618 3/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
MTOR P42345 1/20 0.53
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 1/20 0.52
AURKA O14965 2/20 0.52
CBFB Q13951 9/20 0.50
ESR1 P03372 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4177192 0.89 AURKA (0.67) METAP2METAP1SMN1; SMN2NPC1LMNA
SCHEMBL1667430 0.80 AURKA (0.68) SMN1; SMN2NPC1PKMRAB9AHPGD
SCHEMBL9275644 0.78 METAP1 (1.00) METAP2METAP1SMN1; SMN2NPC1LMNA
SCHEMBL30482943 0.78 METAP1 (1.00) METAP2METAP1SMN1; SMN2NPC1LMNA
SCHEMBL4179805 0.77 AURKA (0.47) METAP2METAP1SMN1; SMN2AURKACBFB
SCHEMBL13607843 0.77 METAP2 (0.53) METAP2METAP1SMN1; SMN2NPC1LMNA
SCHEMBL4924097 0.76 METAP2 (1.00) METAP2METAP1SMN1; SMN2NPC1LMNA
SCHEMBL4054884 0.75 AURKA (0.61) SMN1; SMN2NPC1LMNAPKMRAB9A
SCHEMBL4054706 0.75 HPGD (0.55) SMN1; SMN2NPC1PKMRAB9AHPGD
SCHEMBL12544900 0.75 METAP2 (0.67) METAP2METAP1SMN1; SMN2NPC1LMNA

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 METAP2 4556/4885METAP1 4405/4885SMN1; SMN2 4289/4885

“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.