SCHEMBL4633103

SCHEMBL4633103

COc1ccc2c(c1)CCC(C(=O)N1CCN(c3c(F)c(F)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PIK3CG P48736 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3R1 P27986 2/20 0.50
PIK3CA P42336 2/20 0.50
KCNH2 Q12809 4/20 0.44
POLB P06746 2/20 0.44
CACNA1F O60840 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MTNR1B P49286 3/20 0.41
MTNR1A P48039 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL4633027 0.87 KDM4E (0.56) KMT2AMEN1PIK3CGPIK3CDPIK3R1
SCHEMBL4920511 0.84 PIK3CG (0.71) KMT2APIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL4633097 0.79 MEN1 (0.49) KMT2AMEN1PIK3CGPIK3CDPIK3R1
SCHEMBL6712892 0.77 MEN1 (0.71) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL4632214 0.76 KDM4E (0.65) KMT2AMEN1PIK3CGPIK3CDPIK3R1
SCHEMBL4633160 0.75 PIK3CG (0.69) KMT2AMEN1PIK3CGPIK3CDPIK3R1
SCHEMBL4633000 0.75 PIK3CG (0.68) KMT2APIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL10679862 0.75 MEN1 (0.74) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL9757365 0.75 CACNA1F (0.61) KMT2AMEN1KCNH2POLBCACNA1F
SCHEMBL10683491 0.72 MEN1 (0.67) KMT2AMEN1KCNH2POLBCACNA1F

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139574-A1 Novel quinoline derivatives CADILA HEALTHCARE LIMITED 2008-06-12 US claimed
EP-1927589-A1 Quinoline derivatives CADILA HEALTHCARE LTD. (IN) 2008-06-04 EP claimed
US-20080139574-A1 Novel quinoline derivatives CADILA HEALTHCARE LIMITED 2008-06-12 US disclosed
EP-1927589-A1 Quinoline derivatives CADILA HEALTHCARE LTD. (IN) 2008-06-04 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-20080139574-A1 Novel quinoline derivatives UGT1A7, CYP3A5, CYP3A7 KMT2A 2849/4885MEN1 680/4885PIK3CG 3091/4885

“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.