SCHEMBL10100675

SCHEMBL10100675

CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC4CCC(N(C)C)CC4)c(F)c3F)c2)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.34
BTK Q06187 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KDR P35968 1/20 0.32
AURKB Q96GD4 1/20 0.32
MET P08581 6/20 0.32
MAPK1 P28482 1/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
TYK2 P29597 1/20 0.31
NAMPT P43490 1/20 0.31
NTRK1 P04629 1/20 0.31
MAP4K3 Q8IVH8 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL10100694 0.92 KCNN4 (0.38) JAK2BTKLRRK2KDRAURKB
SCHEMBL10100648 0.90 JAK2 (0.34) JAK2BTKLRRK2KDRAURKB
SCHEMBL2356833 0.89 LRRK2 (0.39) LRRK2METMAPK1MAP4K3
SCHEMBL10100392 0.86 JAK2 (0.38) JAK2LRRK2KDRAURKBMET
SCHEMBL10100534 0.84 JAK2 (0.37) JAK2LRRK2KDRAURKBMET
SCHEMBL10100803 0.84 JAK2 (0.35) JAK2BTKLRRK2KDRAURKB
SCHEMBL10100800 0.84 KCNN4 (0.39) JAK2BTKLRRK2KDRAURKB
SCHEMBL10100650 0.84 JAK2 (0.37) JAK2LRRK2KDRAURKBMET
SCHEMBL10100628 0.84 MAP4K3 (0.39) JAK2BTKLRRK2KDRAURKB
SCHEMBL10100699 0.83 JAK2 (0.44) JAK2METJAK1JAK3TYK2

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 59/4885BTK 388/4885LRRK2 856/4885

“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.