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SCHEMBL3579462

SCHEMBL3579462

CC(=O)Nc1cccc(C(=O)c2ccc3c(c2)NC(=O)/C3=C/Nc2ccc(C)c(O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK3 Q16288 1/20 0.47
▸ GSK3B P49841 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDPK1 O15530 2/20 0.40
▸ NOX4 Q9NPH5 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ AKT2 P31751 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KIT P10721 3/20 0.38
▸ FLT4 P35916 3/20 0.38

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
SCHEMBL3579464 1.00 NTRK3 (0.47) NTRK3GSK3BJAK3MAPTLMNA
SCHEMBL3581696 0.93 JAK3 (0.43) NTRK3GSK3BJAK3MAPTLMNA
SCHEMBL3581700 0.93 JAK3 (0.43) NTRK3GSK3BJAK3MAPTLMNA
SCHEMBL3580084 0.89 ALDH1A1 (0.47) NTRK3GSK3BJAK3MAPTHTT
SCHEMBL3580088 0.89 ALDH1A1 (0.47) NTRK3GSK3BJAK3MAPTHTT
SCHEMBL3570002 0.89 AKT2 (0.39) NTRK3MAPTLMNAHTTSMN1; SMN2
SCHEMBL3575834 0.89 NOX4 (0.47) NTRK3GSK3BJAK3MAPTLMNA
SCHEMBL3575839 0.89 NOX4 (0.47) NTRK3GSK3BJAK3MAPTLMNA
SCHEMBL3570007 0.87 LMNA (0.45) NTRK3MAPTLMNAHTTSMN1; SMN2
SCHEMBL3578699 0.85 JAK3 (0.52) GSK3BJAK3PDPK1NOX4LRRK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 — — US 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 NTRK3 444/4885GSK3B 491/4885JAK3 83/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 NTRK3 418/4885GSK3B 478/4885JAK3 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.