SCHEMBL3578008

SCHEMBL3578008

Cc1cc(CNc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
SMYD3 Q9H7B4 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
EPHX2 P34913 1/20 0.36
SYK P43405 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
MAPT P10636 1/20 0.35
TDP2 O95551 2/20 0.35
FGFR1 P11362 1/20 0.34
KDR P35968 1/20 0.34
RIPK3 Q9Y572 2/20 0.34
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 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
SCHEMBL3574418 0.79 KDR (0.35) FGFR1KDRRIPK3MAPK1
SCHEMBL3574416 0.79 KDR (0.35) FGFR1KDRRIPK3MAPK1
SCHEMBL3581850 0.79 CRBN (0.45) CRBNHDAC6SMYD3FABP7FABP5
SCHEMBL13256073 0.78 CRBN (0.47) CRBNHDAC6SMYD3HDAC3HDAC1
SCHEMBL3572611 0.74 CRBN (0.51) CRBNSMYD3TDP2KDRFABP7
SCHEMBL4703512 0.74 CSF1R (0.42)
SCHEMBL4703513 0.74 CSF1R (0.42)
SCHEMBL3581648 0.71 KCNK3 (0.54) CRBNMAPT
SCHEMBL7679044 0.70 SMYD3 (0.53) CRBNSMYD3HDAC3HDAC1TDP2
SCHEMBL3581639 0.69 TDP2 (0.55) CRBNHDAC6SMYD3HDAC3HDAC1

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 982/4885HDAC6 1268/4885SMYD3 3186/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 CRBN 789/4885HDAC6 1647/4885SMYD3 1968/4885

“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.