SCHEMBL987992

SCHEMBL987992

Cc1cc(O)cc(-c2c(-c3ccnc(-c4cccnc4)c3)cnn2CC#N)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 15/20 0.69
FLT3 P36888 1/20 0.56
CYP2A6 P11509 1/20 0.46
ALK Q9UM73 5/20 0.44
MET P08581 1/20 0.43
PIM1 P11309 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL989216 0.91 FLT3 (0.61) ROS1FLT3ALKMETPIM1
SCHEMBL989192 0.88 ROS1 (0.58) ROS1FLT3ALKMET
SCHEMBL987949 0.87 FLT3 (0.73) ROS1FLT3CYP2A6ALKPIM1
SCHEMBL988552 0.86 FLT3 (0.61) ROS1FLT3ALKMETMAPKAPK2
SCHEMBL988727 0.85 ROS1 (0.63) ROS1FLT3ALKMETMAPKAPK2
SCHEMBL990290 0.84 ROS1 (0.67) ROS1FLT3
SCHEMBL988743 0.84 FLT3 (0.77) ROS1FLT3ALKMET
SCHEMBL989350 0.84 ROS1 (0.55) ROS1FLT3ALKMETMAPKAPK2
SCHEMBL987973 0.84 FLT3 (0.61) ROS1FLT3ALKMET
SCHEMBL987974 0.82 ROS1 (0.61) ROS1FLT3ALKMET

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 206/4885CYP2A6 3907/4885

“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.