SCHEMBL987974

SCHEMBL987974

CC(=O)Nc1ccccc1-c1cc(-c2cnn(CC#N)c2-c2cc(C)cc(O)c2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 8/20 0.61
FLT3 P36888 1/20 0.49
LRRK2 Q5S007 1/20 0.36
ATR Q13535 1/20 0.35
METAP2 P50579 1/20 0.34
ALK Q9UM73 3/20 0.33
DPP9 Q86TI2 1/20 0.33
TGFBR1 P36897 2/20 0.33
MET P08581 1/20 0.33
TOP2A P11388 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
OTUD7B Q6GQQ9 2/20 0.32
DHODH Q02127 1/20 0.32

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
SCHEMBL988749 0.90 ROS1 (0.77) ROS1FLT3LRRK2ATRALK
SCHEMBL989350 0.87 ROS1 (0.55) ROS1FLT3ALKTGFBR1MET
SCHEMBL990290 0.86 ROS1 (0.67) ROS1FLT3
SCHEMBL989216 0.84 FLT3 (0.61) ROS1FLT3ALKTGFBR1MET
SCHEMBL989192 0.83 ROS1 (0.58) ROS1FLT3LRRK2ALKTGFBR1
SCHEMBL12680026 0.83 ROS1 (0.68) ROS1LRRK2ATRALKTGFBR1
SCHEMBL988727 0.82 ROS1 (0.63) ROS1FLT3ALKTGFBR1MET
SCHEMBL987992 0.82 ROS1 (0.69) ROS1FLT3ALKMET
SCHEMBL988552 0.79 FLT3 (0.61) ROS1FLT3ALKTGFBR1MET
SCHEMBL987973 0.79 FLT3 (0.61) ROS1FLT3ALKTGFBR1MET

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-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-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 206/4885LRRK2 388/4885

“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.