SCHEMBL989350

SCHEMBL989350

CC(=O)c1ccccc1-c1cc(-c2cnn(CC#N)c2-c2cc(C)cc(O)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 10/20 0.55
FLT3 P36888 1/20 0.51
KDM4C Q9H3R0 1/20 0.41
GRM5 P41594 1/20 0.34
CTSA P10619 3/20 0.33
ALK Q9UM73 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MET P08581 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
TGFBR1 P36897 1/20 0.31
CYP17A1 P05093 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
SCHEMBL988254 0.89 ROS1 (0.47) ROS1FLT3KDM4CCTSAALK
SCHEMBL12678157 0.89 ROS1 (0.70) ROS1FLT3KDM4CGRM5CTSA
SCHEMBL987974 0.87 ROS1 (0.61) ROS1FLT3ALKMETTGFBR1
SCHEMBL989192 0.87 ROS1 (0.58) ROS1FLT3ALKMETTGFBR1
SCHEMBL989216 0.86 FLT3 (0.61) ROS1FLT3GRM5ALKMET
SCHEMBL988727 0.86 ROS1 (0.63) ROS1FLT3ALKMETMAPKAPK2
SCHEMBL987992 0.84 ROS1 (0.69) ROS1FLT3ALKMETMAPKAPK2
SCHEMBL12678164 0.82 ROS1 (0.71) ROS1FLT3KDM4CGRM5ALK
SCHEMBL990290 0.81 ROS1 (0.67) ROS1FLT3
SCHEMBL988552 0.81 FLT3 (0.61) ROS1FLT3GRM5ALKMET

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 206/4885KDM4C 3225/4885

“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.