SCHEMBL3575353

SCHEMBL3575353

CCN(CC)Cc1ccc(N/C=C2\C(=O)Nc3cc(C(=O)c4cccc(C(N)=O)c4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
BCHE P06276 1/20 0.38
ROCK2 O75116 2/20 0.37
AKT2 P31751 1/20 0.37
MEP1B Q16820 1/20 0.36
PRKAA1 Q13131 3/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDPK1 O15530 1/20 0.35
PTGS2 P35354 1/20 0.34
CSF1R P07333 2/20 0.34
PARP1 P09874 1/20 0.34
CHEK1 O14757 1/20 0.34
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33
NTRK1 P04629 1/20 0.33
KDR P35968 2/20 0.33
PRKAA2 P54646 2/20 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
SCHEMBL4757832 0.91 PRKAA1 (0.39) ACHEAKT2PRKAA1PDPK1CSF1R
SCHEMBL4756597 0.90 PRKAA1 (0.38) AKT2PRKAA1PDPK1CSF1RPARP1
SCHEMBL3575063 0.88 PLAU (0.41) AKT2PDPK1AURKBNTRK1
SCHEMBL4757647 0.88 PRKAA1 (0.40) ROCK2AKT2PRKAA1PDPK1CSF1R
SCHEMBL3581709 0.87 AKT2 (0.40) AKT2PDPK1AURKBNTRK1
SCHEMBL4756943 0.87 PRKAA1 (0.42) PRKAA1CSF1RCHEK1FLT3NTRK1
SCHEMBL3579771 0.86 TDP1 (0.48) ACHEAKT2PRKAA1PDPK1CSF1R
SCHEMBL3572820 0.86 AKT2 (0.38) ROCK2AKT2PRKAA1PDPK1CSF1R
SCHEMBL3582267 0.85 FLT3 (0.45) ACHEBCHECSF1RCHEK1FLT3
SCHEMBL3578097 0.85 AKT2 (0.39) AKT2PDPK1FLT3AURKBNTRK1

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 ACHE 3395/4885BCHE 4188/4885ROCK2 111/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 ACHE 4768/4885BCHE 4676/4885ROCK2 337/4885

“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.