SCHEMBL10100629

SCHEMBL10100629

Nc1ncc(-c2cccs2)cc1-c1nnnn1-c1ccc(OCC2CCNCC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
MAP4K3 Q8IVH8 2/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
MELK Q14680 2/20 0.34
NEK2 P51955 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL10100801 0.91 KCNN4 (0.42) KCNN4HDAC3HDAC1HDAC2CHEK1
SCHEMBL10100661 0.89 KCNN4 (0.41) KCNN4HDAC3HDAC1HDAC2CHEK1
SCHEMBL10100624 0.84 MAP4K3 (0.43) KCNN4MAP4K3TLR9TLR8TLR7
SCHEMBL12539052 0.81 MAP4K3 (0.55) MAP4K3
SCHEMBL10100647 0.80 NEK2 (0.36) KCNN4CHEK1CHEK2NEK2NPSR1
SCHEMBL10100655 0.80 NEK2 (0.37) KCNN4CHEK1CHEK2NEK2NPSR1
SCHEMBL10100649 0.80 NEK2 (0.37) KCNN4CHEK1CHEK2NEK2NPSR1
SCHEMBL10100630 0.80 MAP4K3 (0.50) MAP4K3
SCHEMBL10100628 0.79 MAP4K3 (0.39) KCNN4MAP4K3TLR9TLR8TLR7
SCHEMBL1425529 0.78 KCNN4 (0.48) KCNN4TLR9TLR8TLR7

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-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
WO-2010048131-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 KCNN4 4066/4885MAP4K3 164/4885HDAC3 3344/4885

“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.