SCHEMBL4057667

SCHEMBL4057667

FC(F)(F)Oc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.60
TRPV1 Q8NER1 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.44
BRAF P15056 1/20 0.44
CHEK2 O96017 2/20 0.43
PRMT5 O14744 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
SCN1A P35498 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
KIF11 P52732 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
GUSB P08236 1/20 0.40
PAK4 O96013 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
SCHEMBL4053079 0.83 AURKA (0.67) AURKASMN1; SMN2
SCHEMBL4059384 0.82 AURKA (0.55) AURKATRPV1SMN1; SMN2PRMT5KCNH2
SCHEMBL4060567 0.81 AURKA (0.68) AURKASMN1; SMN2PTGDR2KIF11GUSB
SCHEMBL4053781 0.80 SMN1; SMN2 (0.49) AURKASMN1; SMN2
SCHEMBL13607765 0.80 TRPV1 (0.49) TRPV1CHEK2SCN1AKCNH2SCN5A
SCHEMBL4055069 0.79 SCD (0.56) AURKATRPV1BRAF
SCHEMBL4059854 0.79 AURKA (0.51) AURKATRPV1CHEK2PRMT5KCNH2
SCHEMBL4053038 0.78 AURKA (0.49) AURKATRPV1SMN1; SMN2CHEK2PRMT5
SCHEMBL4053465 0.78 IKBKE (0.49) AURKATRPV1BRAFCHEK2PRMT5
SCHEMBL1667430 0.78 AURKA (0.68) AURKASMN1; SMN2PTGDR2KIF11PAK4

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 247/4885TRPV1 2690/4885SMN1; 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.