SCHEMBL3577289

SCHEMBL3577289

CC(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)/C3=C\O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK3 Q16288 1/20 0.53
JAK3 P52333 1/20 0.46
PDPK1 O15530 2/20 0.45
GSK3B P49841 3/20 0.44
NTRK1 P04629 1/20 0.43
KDR P35968 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TGM2 P21980 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKT2 P31751 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
FLT4 P35916 1/20 0.41
FLT3 P36888 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3577292 1.00 NTRK3 (0.53) NTRK3JAK3PDPK1GSK3BNTRK1
SCHEMBL3578104 0.91 JAK3 (0.55) NTRK3JAK3PDPK1GSK3BKDR
SCHEMBL3578101 0.91 JAK3 (0.55) NTRK3JAK3PDPK1GSK3BKDR
SCHEMBL3582738 0.90 JAK3 (0.50) NTRK3JAK3PDPK1GSK3BKDR
SCHEMBL3582735 0.90 JAK3 (0.50) NTRK3JAK3PDPK1GSK3BKDR
SCHEMBL13256074 0.85 NTRK1 (0.39) NTRK3JAK3NTRK1TGM2PDGFRB
SCHEMBL3580088 0.84 ALDH1A1 (0.47) NTRK3JAK3PDPK1GSK3BNTRK1
SCHEMBL3579596 0.84 KMT2A (0.53) NTRK1TP53MAPTLMNARAB9A
SCHEMBL3579599 0.84 KMT2A (0.53) NTRK1TP53MAPTLMNARAB9A
SCHEMBL3580084 0.84 ALDH1A1 (0.47) NTRK3JAK3PDPK1GSK3BNTRK1

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 NTRK3 444/4885JAK3 83/4885PDPK1 82/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NTRK3 418/4885JAK3 116/4885PDPK1 86/4885

“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.