SCHEMBL4889182

SCHEMBL4889182

O=C1NCCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.70
TDP2 O95551 1/20 0.50
PARP10 Q53GL7 3/20 0.49
PARP11 Q9NR21 2/20 0.49
PARP1 P09874 1/20 0.47
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
S1PR1 P21453 1/20 0.44
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TBXAS1 P24557 1/20 0.42
ASIC3 Q9UHC3 1/20 0.40
AKT1 P31749 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL4596437 0.86 KIF11 (0.65) KIF11TDP2PARP10PARP11PARP1
SCHEMBL2676020 0.85 KIF11 (0.63) KIF11TDP2PARP10PARP11PARP1
Hydrochloric Acid SCHEMBL2675682 0.84 KIF11 (0.61) KIF11TDP2PARP10PARP11PARP1
SCHEMBL1396616 0.82 KIF11 (1.00) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL4888035 0.79 KIF11 (0.86) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL4888861 0.79 KIF11 (0.86) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL1903306 0.78 KIF11 (0.80) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL1396703 0.77 KIF11 (0.60) KIF11TDP2PARP10PARP11S1PR1
SCHEMBL4596888 0.77 KIF11 (0.68) KIF11TDP2PDE3BPDE3AS1PR1
SCHEMBL13524332 0.77 KIF11 (0.48) KIF11PARP10PARP11PARP1PDE3B

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 2 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

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 562/4885TDP2 1033/4885PARP10 1511/4885

“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.