SCHEMBL4596437

SCHEMBL4596437

O=C1NCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.65
CYP11B1 P15538 4/20 0.57
CYP11B2 P19099 4/20 0.57
TDP2 O95551 2/20 0.52
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 1/20 0.38
TBXAS1 P24557 1/20 0.38
CDK2 P24941 2/20 0.38
AKT1 P31749 2/20 0.38
GRM2 Q14416 1/20 0.38
GAA P10253 1/20 0.38
CDK1 P06493 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL4889182 0.86 KIF11 (0.70) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL4595237 0.83 KIF11 (0.47) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL4596526 0.82 KIF11 (0.57) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL4898372 0.81 KIF11 (0.72) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL1903306 0.80 KIF11 (0.80) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL1396616 0.79 KIF11 (1.00) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL4596871 0.78 KIF11 (0.59) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL3467162 0.77 KIF11 (0.65) KIF11CYP11B1CYP11B2TDP2PDE3B
SCHEMBL27042635 0.76 TDP2 (0.62) KIF11TDP2PDE3BPDE3APARP10
SCHEMBL4888035 0.75 KIF11 (0.86) KIF11CYP11B1CYP11B2TDP2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885CYP11B1 780/4885CYP11B2 1046/4885

“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.