SCHEMBL4050208

SCHEMBL4050208

CN(C)c1cccc(-c2nc3ncc(Br)cc3[nH]2)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.76
KIF11 P52732 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
PAK4 O96013 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ESR1 P03372 1/20 0.43
GUSB P08236 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PTGES O14684 1/20 0.40

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
SCHEMBL4060428 0.84 AURKA (0.66) AURKAKIF11GUSB
SCHEMBL4054040 0.84 AURKA (0.60) AURKAKIF11SMN1; SMN2PAK4LMNA
SCHEMBL1667430 0.82 AURKA (0.68) AURKAKIF11SMN1; SMN2PAK4RXFP1
SCHEMBL4058129 0.81 AURKA (0.56) AURKASMN1; SMN2PAK4LMNAHTT
SCHEMBL4058364 0.81 AURKA (0.56) AURKAKIF11SMN1; SMN2PAK4LMNA
SCHEMBL4057871 0.81 AURKA (0.56) AURKASMN1; SMN2PAK4LMNAHTT
SCHEMBL13607853 0.81 AURKA (0.51) AURKAKIF11SMN1; SMN2PTGES
SCHEMBL4054555 0.81 AURKA (0.67) AURKASMN1; SMN2LMNAHTTNPSR1
SCHEMBL4058201 0.79 SMN1; SMN2 (0.55) AURKASMN1; SMN2PAK4LMNAHTT
SCHEMBL4059245 0.79 TBK1 (0.61) AURKASMN1; SMN2

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 AURKA 247/4885KIF11 1936/4885SMN1; 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.