SCHEMBL988254

SCHEMBL988254

CC(=O)c1ccccc1-c1ccc(-c2cnn(CC#N)c2-c2cc(C)cc(O)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 9/20 0.47
FLT3 P36888 1/20 0.42
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KDM4C Q9H3R0 1/20 0.33
CTSA P10619 3/20 0.33
ALK Q9UM73 3/20 0.32
MET P08581 1/20 0.32
METAP2 P50579 1/20 0.31
DHODH Q02127 2/20 0.30
PTGIR P43119 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
SCHEMBL989350 0.89 ROS1 (0.55) ROS1FLT3ALOX5APFEN1KDM4C
SCHEMBL988416 0.89 ROS1 (0.61) ROS1FLT3ALOX5APFEN1ALK
SCHEMBL12678144 0.86 FLT3 (0.49) ROS1FLT3ALKMETDHODH
SCHEMBL987849 0.85 ROS1 (0.49) ROS1FLT3
SCHEMBL990216 0.82 ROS1 (0.60) ROS1ALOX5APFEN1KDM4CALK
SCHEMBL989192 0.78 ROS1 (0.58) ROS1FLT3ALKMET
SCHEMBL987974 0.77 ROS1 (0.61) ROS1FLT3ALKMETMETAP2
SCHEMBL989216 0.76 FLT3 (0.61) ROS1FLT3ALKMET
SCHEMBL988795 0.74 ROS1 (0.63) ROS1FLT3ALK
SCHEMBL12678145 0.74 FLT3 (0.65) ROS1FLT3ALK

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 206/4885ALOX5AP 4706/4885

“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.