SCHEMBL3435689

SCHEMBL3435689

COC(=O)C1(O)CCN(c2nc(F)ccc2N)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.35
PTPN11 Q06124 7/20 0.34
SCN10A Q9Y5Y9 7/20 0.34
HASPIN Q8TF76 1/20 0.33
HIF1A Q16665 1/20 0.32
ADORA2A P29274 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL3558844 0.86 KIF18A (0.36) KIF18ASCN10AHIF1A
SCHEMBL3543810 0.81 MAPT (0.42)
SCHEMBL10278269 0.79 GRIN2D (0.42) SCN10A
SCHEMBL3435696 0.77 OPRK1 (0.42) PTPN11SCN10AADORA2ARPS6KB1
SCHEMBL10276904 0.75 L3MBTL1 (0.41) KIF18ASCN10A
SCHEMBL3436543 0.73 KIF18A (0.35) KIF18APTPN11SCN10A
SCHEMBL3569131 0.72 ADRA2C (0.47)
SCHEMBL3954751 0.72 GRIN2D (0.40) SCN10A
SCHEMBL3436541 0.71 OPRM1 (0.38) KIF18ASCN10A
SCHEMBL3577093 0.71 KDM4E (0.38)

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KIF18A 1520/4885PTPN11 420/4885SCN10A 4183/4885

“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.