SCHEMBL10100655

SCHEMBL10100655

CNCCCCOc1ccc(-n2nnnc2-c2cc(-c3cccs3)cnc2N)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 2/20 0.37
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
ALDH1A1 P00352 6/20 0.33
KCNN4 O15554 5/20 0.33
NPSR1 Q6W5P4 4/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
S1PR2 O95136 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
NR2F2 P24468 1/20 0.33
NTSR1 P30989 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 2/20 0.32
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL10100649 0.89 NEK2 (0.37) NEK2CHEK1CHEK2ALDH1A1KCNN4
SCHEMBL10100514 0.87 GRIN2B (0.32) NEK2KCNN4GRIN2B
SCHEMBL10100496 0.85 ACHE (0.38) ALDH1A1KCNN4TSHR
SCHEMBL10100495 0.85 FYN (0.35) CHEK2ALDH1A1KCNN4
SCHEMBL10100492 0.84 EPHX2 (0.42) CHEK1CHEK2KCNN4
SCHEMBL10100506 0.84 FYN (0.44) KCNN4GRIN2B
SCHEMBL2359330 0.83 KCNN4 (0.35) KCNN4L3MBTL4L3MBTL3
SCHEMBL10100510 0.83 FYN (0.40) KCNN4GRIN2B
SCHEMBL2356890 0.83 LRRK2 (0.40)
Hydrochloric Acid SCHEMBL2358908 0.83 LRRK2 (0.39)

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 NEK2 454/4885CHEK1 97/4885CHEK2 109/4885

“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.