SCHEMBL988552

SCHEMBL988552

Cc1cc(O)cc(-c2c(-c3ccnc(-c4ccc(C#N)cc4)c3)cnn2CC#N)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.61
ROS1 P08922 7/20 0.59
CYP11B2 P19099 3/20 0.41
TGFBR1 P36897 2/20 0.40
MAPKAPK2 P49137 1/20 0.38
GRM5 P41594 3/20 0.37
GRM2 Q14416 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
ALK Q9UM73 3/20 0.33
MET P08581 1/20 0.33

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 0.90 FLT3 (0.61) FLT3ROS1TGFBR1GRM5ALK
SCHEMBL988743 0.89 FLT3 (0.77) FLT3ROS1TGFBR1ALKMET
SCHEMBL988727 0.88 ROS1 (0.63) FLT3ROS1TGFBR1MAPKAPK2ALK
SCHEMBL988748 0.87 FLT3 (0.80) FLT3ROS1CYP11B2TGFBR1MAPKAPK2
SCHEMBL987973 0.86 FLT3 (0.61) FLT3ROS1TGFBR1GRM2ALK
SCHEMBL987992 0.86 ROS1 (0.69) FLT3ROS1MAPKAPK2ALKMET
SCHEMBL989192 0.83 ROS1 (0.58) FLT3ROS1TGFBR1ALKMET
SCHEMBL989350 0.81 ROS1 (0.55) FLT3ROS1TGFBR1MAPKAPK2GRM5
SCHEMBL12678144 0.80 FLT3 (0.49) FLT3ROS1CYP11B2ALKMET
SCHEMBL12678169 0.80 ROS1 (0.74) FLT3ROS1TGFBR1MAPKAPK2GRM5

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 FLT3 206/4885ROS1 1/4885CYP11B2 963/4885

“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.