SCHEMBL4057754

SCHEMBL4057754

c1cc(OCC2CCCCC2)cc(-c2nc3ncc(-c4ccco4)cc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 1/20 0.42
AURKA O14965 3/20 0.39
TBK1 Q9UHD2 2/20 0.38
IKBKE Q14164 1/20 0.38
PRMT5 O14744 2/20 0.38
IGF1R P08069 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37

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
SCHEMBL4062368 0.88 PRMT5 (0.45) CHRNB2CCNA2CDK2AURKATBK1
SCHEMBL4051426 0.86 AURKA (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL13608335 0.85 CHRNB1 (0.42) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL4060141 0.83 LMNA (0.46) CCNA2CDK2AURKAPRMT5IGF1R
SCHEMBL4054953 0.83 FGFR1 (0.49) AURKATBK1IKBKE
SCHEMBL4054205 0.82 SCD (0.44) CCNA2CDK2AURKAPRMT5IGF1R
SCHEMBL4060694 0.81 AURKA (0.45) AURKATBK1IKBKE
SCHEMBL4055195 0.81 AURKA (0.60) CDK2AURKATBK1IKBKE
SCHEMBL4239405 0.81 GABRA1 (0.43) CDK2AURKATBK1IKBKEPRMT5
SCHEMBL4055260 0.81 AURKA (0.47) CDK2AURKATBK1IKBKE

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 CHRNB1 1679/4885CHRNB2 2923/4885CHRNB4 2901/4885

“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.