SCHEMBL987733

SCHEMBL987733

COc1cc(C)cc(-c2nn(CC#N)cc2-c2ccnc(S(C)(=O)=O)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 17/20 0.54
ALK Q9UM73 9/20 0.51
MET P08581 1/20 0.40
FLT3 P36888 1/20 0.40
BRAF P15056 2/20 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
SCHEMBL3911904 0.91 ROS1 (0.45) ROS1ALKMETBRAF
SCHEMBL3918762 0.90 ROS1 (0.44) ROS1ALKMETBRAF
SCHEMBL3918438 0.87 ROS1 (0.60) ROS1ALKMETBRAF
SCHEMBL12680019 0.85 ROS1 (0.55) ROS1ALKMETFLT3
SCHEMBL988245 0.84 ROS1 (0.55) ROS1ALKMETFLT3
SCHEMBL3909796 0.81 ROS1 (0.45) ROS1ALKMETBRAF
SCHEMBL3912171 0.81 ROS1 (0.37) ROS1ALKBRAF
SCHEMBL3916582 0.81 BRAF (0.44) ROS1BRAF
SCHEMBL3979668 0.80 ROS1 (0.49) ROS1ALKMETBRAF
SCHEMBL1042607 0.79 ROS1 (0.51) ROS1ALKMETFLT3

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 1/4885ALK 495/4885MET 1280/4885

“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.