SCHEMBL3572841

SCHEMBL3572841

NC(=O)c1cccc(C(=O)c2ccc3c(c2)NC(=O)C3=CNc2ccc(C(=O)NO)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
AKT2 P31751 1/20 0.40
AURKB Q96GD4 7/20 0.39
PDPK1 O15530 1/20 0.39
FLT3 P36888 3/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
TGM2 P21980 1/20 0.37
BACE1 P56817 1/20 0.37
RAF1 P04049 1/20 0.37
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
GSK3B P49841 3/20 0.36
PIM1 P11309 1/20 0.36

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
SCHEMBL3572847 0.91 PIM1 (0.42) NTRK1AURKBPDPK1FLT3CCNB2
SCHEMBL3575063 0.88 PLAU (0.41) NTRK1AKT2AURKBPDPK1CCNB2
SCHEMBL3581709 0.87 AKT2 (0.40) NTRK1AKT2AURKBPDPK1CCNB2
SCHEMBL3578097 0.85 AKT2 (0.39) NTRK1AKT2AURKBPDPK1FLT3
SCHEMBL3572836 0.85 AURKB (0.38) NTRK1AURKBFLT3CCNB2CDK1
SCHEMBL3575692 0.84 MAP3K7 (0.47) NTRK1AKT2PDPK1RAF1MAP3K7
SCHEMBL3570002 0.84 AKT2 (0.39) NTRK1AKT2AURKBPDPK1FLT3
SCHEMBL3579771 0.83 TDP1 (0.48) NTRK1AKT2PDPK1
SCHEMBL4756298 0.82 AKT2 (0.37) NTRK1AKT2AURKBPDPK1FLT3
SCHEMBL3575353 0.82 ACHE (0.40) NTRK1AKT2AURKBPDPK1FLT3

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 NTRK1 307/4885AKT2 94/4885AURKB 333/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NTRK1 413/4885AKT2 168/4885AURKB 117/4885

“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.