SCHEMBL990476

SCHEMBL990476

COc1cc(C)cc(-c2nn(CC#N)cc2-c2ccnc(-c3cccnc3)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROS1 P08922 18/20 0.78
ALK Q9UM73 9/20 0.62
FLT3 P36888 1/20 0.51
MET P08581 1/20 0.48
CYP2A6 P11509 1/20 0.42

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
SCHEMBL989058 0.91 ROS1 (0.64) ROS1ALKFLT3MET
SCHEMBL12678173 0.90 ROS1 (0.65) ROS1ALKFLT3MET
SCHEMBL990324 0.88 ROS1 (1.00) ROS1ALKMETCYP2A6
SCHEMBL989166 0.87 ROS1 (0.62) ROS1ALKFLT3MET
SCHEMBL987526 0.86 ROS1 (0.57) ROS1ALKFLT3MET
SCHEMBL988421 0.85 ROS1 (0.57) ROS1ALKFLT3MET
SCHEMBL987946 0.84 ROS1 (0.58) ROS1ALKFLT3MET
SCHEMBL987535 0.84 FLT3 (0.69) ROS1ALKFLT3MET
SCHEMBL12679984 0.84 ROS1 (0.54) ROS1ALKFLT3MET
SCHEMBL990163 0.84 ROS1 (0.59) ROS1ALKFLT3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648518-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-10-16 EP claimed
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-09-26 US claimed
WO-2012076704-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-06-14 WO claimed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US claimed
EP-2648518-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-10-16 EP disclosed
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-09-26 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-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
WO-2012076704-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-06-14 WO 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 (2 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 495/4885FLT3 206/4885
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests RTN3, RRS1, RTF1 ROS1 25/4885ALK 2693/4885FLT3 3624/4885

“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.