SCHEMBL10100534

SCHEMBL10100534

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.37
MET P08581 5/20 0.37
FYN P06241 2/20 0.36
CHEK2 O96017 1/20 0.35
MAPK1 P28482 2/20 0.34
LRRK2 Q5S007 1/20 0.34
NTRK1 P04629 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
KCNN4 O15554 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 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
SCHEMBL10100650 0.98 JAK2 (0.37) JAK2METFYNCHEK2MAPK1
SCHEMBL10100392 0.97 JAK2 (0.38) JAK2METFYNMAPK1LRRK2
SCHEMBL10100517 0.93 MET (0.37) JAK2METFYNCHEK2MAPK1
SCHEMBL10100521 0.92 FYN (0.38) JAK2METFYNCHEK2MAPK1
SCHEMBL10100574 0.91 JAK2 (0.37) JAK2METMAPK1LRRK2NTRK1
SCHEMBL10100703 0.91 JAK2 (0.38) JAK2METMAPK1LRRK2NTRK1
SCHEMBL10100487 0.90 JAK2 (0.37) JAK2METMAPK1LRRK2NTRK1
SCHEMBL2360138 0.90 JAK2 (0.38) JAK2METMAPK1LRRK2NTRK1
SCHEMBL10100397 0.90 LRRK2 (0.35) JAK2METFYNCHEK2MAPK1
SCHEMBL10100653 0.89 JAK2 (0.37) JAK2METMAPK1LRRK2NTRK1

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.