SCHEMBL990161

SCHEMBL990161

COc1cc(C)cc(-c2c(-c3ccnc(-c4ccc(Oc5ccccc5)cc4)c3)cnn2CC#N)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.77
ROS1 P08922 8/20 0.71
TGFBR1 P36897 4/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
ALK Q9UM73 2/20 0.34
MAOA P21397 1/20 0.34
DYRK1A Q13627 1/20 0.34
MCL1 Q07820 1/20 0.34
NAAA Q02083 1/20 0.34
TNK2 Q07912 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
SCHEMBL12678142 0.94 FLT3 (0.80) FLT3ROS1TGFBR1NPC1RAB9A
SCHEMBL987973 0.90 FLT3 (0.61) FLT3ROS1TGFBR1ALKMCL1
SCHEMBL988748 0.88 FLT3 (0.80) FLT3ROS1TGFBR1MEN1KMT2A
SCHEMBL988400 0.87 FLT3 (1.00) FLT3ROS1TGFBR1ALKMAOA
SCHEMBL987949 0.86 FLT3 (0.73) FLT3ROS1NPC1RAB9AMEN1
SCHEMBL989322 0.85 ROS1 (0.80) FLT3ROS1TGFBR1ABL1BCR
SCHEMBL12678145 0.83 FLT3 (0.65) FLT3ROS1NPC1RAB9AMEN1
SCHEMBL12679982 0.83 FLT3 (0.72) FLT3ROS1TGFBR1ALKMAOA
SCHEMBL988180 0.83 ROS1 (0.74) FLT3ROS1TGFBR1ABL1BCR
SCHEMBL12678157 0.82 ROS1 (0.70) FLT3ROS1TGFBR1NPC1RAB9A

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 1/4885TGFBR1 2977/4885

“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.