SCHEMBL4253769

SCHEMBL4253769

CNC(=O)c1cc(-c2n[nH]cc2C(c2ccc(C(F)(F)F)cn2)(N2CCCCCC2)N2CCCCCC2)ccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.36
SCN10A Q9Y5Y9 5/20 0.34
SMO Q99835 1/20 0.33
KDM5A P29375 2/20 0.33
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
SCN9A Q15858 3/20 0.32
AR P10275 2/20 0.32
CCR6 P51684 1/20 0.32
DYRK1A Q13627 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL4242740 0.90 GCK (0.33) SCN10ASMOKDM5ASCN9AAR
SCHEMBL4250996 0.80 MAOB (0.43) KDM5ASCN9ACCR6
SCHEMBL4253765 0.77 SMO (0.42) SMOAR
SCHEMBL3643233 0.75 KDM4E (0.37) CCR6
SCHEMBL2743992 0.72 DYRK1A (0.31) DYRK1A
SCHEMBL4247115 0.67 SMO (0.44) SMOJAK2JAK3
SCHEMBL4242734 0.66 SMO (0.42) SMO
SCHEMBL4246923 0.59 SMO (0.61) SMO
SCHEMBL3480510 0.59 AR (0.46) AR
SCHEMBL16635285 0.57 MAPT (0.44) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 USP30 3402/4885SCN10A 1935/4885SMO 1890/4885

“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.