SCHEMBL10100650

SCHEMBL10100650

CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCCCN(C)C)c(F)c3F)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
MET P08581 4/20 0.36
FYN P06241 2/20 0.34
MAPK1 P28482 2/20 0.34
NTRK1 P04629 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CHEK2 O96017 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
IKBKE Q14164 3/20 0.32
TBK1 Q9UHD2 3/20 0.32
KCNN4 O15554 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
SCHEMBL10100534 0.98 JAK2 (0.37) JAK2METFYNMAPK1NTRK1
SCHEMBL10100392 0.96 JAK2 (0.38) JAK2METFYNMAPK1NTRK1
SCHEMBL10100574 0.91 JAK2 (0.37) JAK2METMAPK1NTRK1LRRK2
SCHEMBL10100703 0.91 JAK2 (0.38) JAK2METMAPK1NTRK1LRRK2
SCHEMBL10100517 0.91 MET (0.37) JAK2METFYNMAPK1NTRK1
SCHEMBL10100653 0.90 JAK2 (0.37) JAK2METMAPK1NTRK1LRRK2
SCHEMBL10100521 0.90 FYN (0.38) JAK2METFYNMAPK1NTRK1
SCHEMBL10100487 0.89 JAK2 (0.37) JAK2METMAPK1NTRK1LRRK2
SCHEMBL2360138 0.89 JAK2 (0.38) JAK2METMAPK1NTRK1LRRK2
SCHEMBL10100397 0.89 LRRK2 (0.35) JAK2METFYNMAPK1LRRK2

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 JAK2 59/4885MET 1/4885FYN 532/4885

“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.