SCHEMBL3581850

SCHEMBL3581850

O=C1Cc2ccc(C(=O)c3cccc(NCc4ccccc4)c3)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.45
FFAR1 O14842 2/20 0.45
JAK3 P52333 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CDC7 O00311 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
ROCK2 O75116 2/20 0.42
PRKCA P17252 2/20 0.42
GRK2 P25098 2/20 0.42
GRK5 P34947 1/20 0.42
GRK3 P35626 1/20 0.42
GRK7 Q8WTQ7 1/20 0.42
FABP7 O15540 1/20 0.42
FABP5 Q01469 1/20 0.42

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
SCHEMBL13256073 0.85 CRBN (0.47) CRBNSMYD3HDAC6FABP7FABP5
SCHEMBL7679044 0.82 SMYD3 (0.53) CRBNSMYD3
SCHEMBL3572611 0.79 CRBN (0.51) CRBNSMYD3FABP7FABP5
SCHEMBL3578008 0.79 CRBN (0.41) CRBNSMYD3HDAC6FABP7FABP5
SCHEMBL18006544 0.79 EPHX2 (0.54) CRBNSMYD3HDAC8HDAC6
SCHEMBL5639514 0.76 JAK3 (0.60) CRBNJAK3IRAK4CDC7CCNE1
SCHEMBL3581639 0.76 TDP2 (0.55) CRBNSMYD3HDAC6
SCHEMBL396708 0.75 KCNK3 (0.57) CRBNSMYD3PARP1
SCHEMBL3581648 0.75 KCNK3 (0.54) CRBN
SCHEMBL3573172 0.75 NTRK1 (0.45) FFAR1HDAC8HDAC6HDAC11ROCK2

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 CRBN 982/4885FFAR1 2712/4885JAK3 83/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CRBN 789/4885FFAR1 3540/4885JAK3 116/4885

“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.