SCHEMBL10100574

SCHEMBL10100574

CCN(CC)CCOc1ccc(-n2nnnc2-c2cc(-c3cnn(CCC(C)C)c3)cnc2N)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.37
LRRK2 Q5S007 1/20 0.35
MAPK1 P28482 3/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
MET P08581 4/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
KCNN4 O15554 2/20 0.33
NTRK1 P04629 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
NAMPT P43490 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 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
SCHEMBL10100761 0.95 JAK2 (0.36) JAK2LRRK2MAPK1METKDR
SCHEMBL10100392 0.93 JAK2 (0.38) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100573 0.93 LRRK2 (0.36) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100572 0.93 LRRK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100534 0.91 JAK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100703 0.91 JAK2 (0.38) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100650 0.91 JAK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL2360138 0.90 JAK2 (0.38) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100487 0.88 JAK2 (0.37) JAK2LRRK2MAPK1PRMT5WDR77
SCHEMBL10100434 0.88 JAK2 (0.36) JAK2LRRK2MAPK1PRMT5WDR77

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 4 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
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 JAK2 59/4885LRRK2 856/4885MAPK1 357/4885

“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.