SCHEMBL3572834

SCHEMBL3572834

COc1ccc(NC=C2C(=O)Nc3cc(C(=O)c4ccc(N)cc4)ccc32)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
NOX4 Q9NPH5 1/20 0.40
PIM1 P11309 1/20 0.40
RET P07949 3/20 0.39
TUBB4A P04350 2/20 0.39
TUBB P07437 2/20 0.39
TUBA3C P0DPH7 2/20 0.39
TUBA1B P68363 2/20 0.39
TUBA4A P68366 2/20 0.39
TUBB4B P68371 2/20 0.39
TUBB3 Q13509 2/20 0.39
TUBB2A Q13885 2/20 0.39
TUBB8 Q3ZCM7 2/20 0.39
TUBA3E Q6PEY2 2/20 0.39
TUBA1A Q71U36 2/20 0.39
TUBA1C Q9BQE3 2/20 0.39
TUBB6 Q9BUF5 2/20 0.39

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
SCHEMBL3572826 0.93 FLT4 (0.43) CHEK1FLT4KDRFLT3NOX4
SCHEMBL3581212 0.93 NOX4 (0.46) CHEK1NOX4RET
SCHEMBL3572688 0.92 FLT3 (0.41) CHEK1FLT4KDRFLT3NOX4
SCHEMBL3573605 0.90 NOX4 (0.48) CHEK1FLT4KDRFLT3NOX4
SCHEMBL3573600 0.90 NOX4 (0.48) CHEK1FLT4KDRFLT3NOX4
SCHEMBL3572683 0.89 FLT3 (0.43) CHEK1FLT4KDRFLT3NOX4
SCHEMBL3578283 0.87 PIM1 (0.42) CHEK1FLT4KDRFLT3PIM1
SCHEMBL3581209 0.87 NOX4 (0.44) NOX4RETTUBB4ATUBBTUBA3C
SCHEMBL3575839 0.85 NOX4 (0.47) FLT4KDRFLT3NOX4RET
SCHEMBL3575834 0.85 NOX4 (0.47) FLT4KDRFLT3NOX4RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 WO disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US disclosed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO 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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 CHEK1 539/4885FLT4 155/4885KDR 51/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CHEK1 161/4885FLT4 327/4885KDR 226/4885

“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.