SCHEMBL10100801

SCHEMBL10100801

CCC1CCC(COc2ccc(-n3nnnc3-c3cc(-c4cccs4)cnc3N)c(F)c2F)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.42
NEK2 P51955 2/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
S1PR2 O95136 1/20 0.32
GAA P10253 1/20 0.32
XBP1 P17861 1/20 0.32
NR2F2 P24468 1/20 0.32

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
SCHEMBL10100661 0.92 KCNN4 (0.41) KCNN4NEK2CHEK1CHEK2GRIN1
SCHEMBL10100629 0.91 KCNN4 (0.41) KCNN4NEK2CHEK1CHEK2GRIN1
SCHEMBL10100799 0.85 KCNN4 (0.42) KCNN4BRD4
SCHEMBL10100647 0.82 NEK2 (0.36) KCNN4NEK2CHEK1CHEK2CHRNB1
SCHEMBL10100655 0.81 NEK2 (0.37) KCNN4NEK2CHEK1CHEK2GRIN2B
SCHEMBL10100649 0.81 NEK2 (0.37) KCNN4NEK2CHEK1CHEK2GRIN2B
SCHEMBL10100802 0.80 JAK2 (0.44) KCNN4
SCHEMBL10100800 0.80 KCNN4 (0.39) KCNN4
SCHEMBL1425529 0.80 KCNN4 (0.48) KCNN4PDE4ADCPS
SCHEMBL13424187 0.77 KCNN4 (0.40) KCNN4

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-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

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 4066/4885NEK2 454/4885CHEK1 97/4885

“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.