SCHEMBL3584181

SCHEMBL3584181

CONC(=O)CCCc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 5/20 0.34
FLT3 P36888 5/20 0.34
PDGFRB P09619 1/20 0.34
AKT2 P31751 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
CDY1; CDY1B Q9Y6F8 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
MTNR1B P49286 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
CASP1 P29466 1/20 0.33
PDPK1 O15530 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
SCHEMBL3578097 0.85 AKT2 (0.39) AURKBFLT3AKT2PDPK1
SCHEMBL4756597 0.84 PRKAA1 (0.38) AURKBFLT3AKT2KDRPARP1
SCHEMBL3575063 0.84 PLAU (0.41) AURKBAKT2PDPK1
SCHEMBL3572820 0.84 AKT2 (0.38) AURKBFLT3AKT2CDYL2CDYL
SCHEMBL3581709 0.83 AKT2 (0.40) AURKBAKT2PDPK1
SCHEMBL4758717 0.83 KDR (0.41) AURKBFLT3KMT2AKDR
SCHEMBL4758715 0.83 KDR (0.41) AURKBFLT3KMT2AKDR
SCHEMBL4757832 0.82 PRKAA1 (0.39) PDGFRBAKT2KDRPDPK1
SCHEMBL3575353 0.80 ACHE (0.40) AURKBFLT3AKT2KDRPARP1
SCHEMBL3567208 0.80 AKT2 (0.40) AKT2PDPK1ALDH1A1

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-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 333/4885FLT3 380/4885PDGFRB 368/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 AURKB 117/4885FLT3 87/4885PDGFRB 407/4885

“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.