SCHEMBL988795

SCHEMBL988795

COc1cc(C)cc(-c2c(-c3ccc(-c4cccc(C(C)=O)c4)nc3)cnn2CC#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 8/20 0.63
FLT3 P36888 1/20 0.58
FYN P06241 7/20 0.43
ALK Q9UM73 2/20 0.37
MAP4K4 O95819 2/20 0.35
CSNK1G2 P78368 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
MAP4K5 Q9Y4K4 2/20 0.35
WDR5 P61964 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SYK P43405 2/20 0.35
PLK4 O00444 1/20 0.34
DCLK1 O15075 1/20 0.34
ROCK2 O75116 1/20 0.34
PRKD3 O94806 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
INSR P06213 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL988180 0.91 ROS1 (0.74) ROS1FLT3FYNALKSYK
SCHEMBL987849 0.89 ROS1 (0.49) ROS1FLT3FYNMAP4K4CSNK1G2
SCHEMBL12678145 0.88 FLT3 (0.65) ROS1FLT3ALKKDR
SCHEMBL988055 0.87 ROS1 (0.61) ROS1FLT3ALKKDR
SCHEMBL988416 0.86 ROS1 (0.61) ROS1FLT3ALK
SCHEMBL989322 0.84 ROS1 (0.80) ROS1FLT3ALKSYK
SCHEMBL988418 0.83 ROS1 (0.52) ROS1FLT3FYNALK
SCHEMBL988601 0.82 ROS1 (0.84) ROS1FLT3FYN
SCHEMBL12678157 0.80 ROS1 (0.70) ROS1FLT3ALK
SCHEMBL12678148 0.80 FLT3 (0.62) ROS1FLT3ALKCLK4CLK2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US claimed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US 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-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE ROS1, PDPK1, MAP3K19 ROS1 1/4885FLT3 206/4885FYN 368/4885

“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.