SCHEMBL4897633

SCHEMBL4897633

O=C1CN=Cc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.57
TDP2 O95551 2/20 0.46
GRM2 Q14416 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
AKT1 P31749 3/20 0.38
CDK2 P24941 2/20 0.38
CDK1 P06493 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
NOTUM Q6P988 1/20 0.38
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4596854 0.90 KIF11 (0.47) KIF11TDP2GRM2PDE3BPDE3A
SCHEMBL4596446 0.80 KIF11 (0.43) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL1903306 0.74 KIF11 (0.80) KIF11TDP2GRM2PDE3BPDE3A
SCHEMBL1396616 0.73 KIF11 (1.00) KIF11TDP2PDE3BPDE3AAKT1
SCHEMBL4596430 0.72 KIF11 (0.59) KIF11TDP2PDE3BPDE3A
SCHEMBL11412815 0.72 AHR (0.49) PDE3BPDE3ACA9CA12
SCHEMBL4595139 0.71 KIF11 (0.62) KIF11TDP2GRM2PDE3BPDE3A
SCHEMBL4596305 0.71 KIF11 (0.62) KIF11TDP2GRM2PDE3BPDE3A
SCHEMBL4596362 0.70 KIF11 (0.61) KIF11TDP2PDE3BPDE3A
SCHEMBL9684182 0.70 PGR (0.36) PDE3BPDE3A

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-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

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 1033/4885GRM2 4293/4885

“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.