SCHEMBL3572836

SCHEMBL3572836

O=C1Nc2cc(C(=O)c3c[c]ccc3)ccc2C1=CNc1ccc(C(=O)NO)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.38
NTRK1 P04629 1/20 0.37
FLT3 P36888 3/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TGM2 P21980 2/20 0.36
BACE1 P56817 1/20 0.35
RAF1 P04049 1/20 0.35
GSK3B P49841 3/20 0.35
TLK2 Q86UE8 3/20 0.34
JAK3 P52333 1/20 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
SCHEMBL3572841 0.85 NTRK1 (0.40) AURKBNTRK1FLT3CCNB2CDK1
SCHEMBL3572847 0.84 PIM1 (0.42) AURKBNTRK1FLT3CCNB2CDK1
SCHEMBL3652100 0.80 TLK2 (0.41) NTRK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3652102 0.80 TLK2 (0.41) NTRK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3575063 0.73 PLAU (0.41) AURKBNTRK1CCNB2CDK1CCNB1
SCHEMBL3575067 0.73 PIM1 (0.42) AURKBNTRK1CCNB2CDK1CCNB1
SCHEMBL3581709 0.73 AKT2 (0.40) AURKBNTRK1CCNB2CDK1CCNB1
SCHEMBL3581713 0.72 PIM1 (0.41) AURKBNTRK1FLT3CCNB2CDK1
SCHEMBL4756765 0.71 TLK2 (0.51) NTRK1CCNB2CDK1CCNB1CCNB3
SCHEMBL3578097 0.71 AKT2 (0.39) AURKBNTRK1FLT3CCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AURKB 333/4885NTRK1 307/4885FLT3 380/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AURKB 117/4885NTRK1 413/4885FLT3 87/4885

“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.