SCHEMBL3580973

SCHEMBL3580973

Nc1ccc(C(=O)c2ccc3c(c2)NC(=O)C3=CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.54
TGM2 P21980 5/20 0.44
CHEK1 O14757 1/20 0.43
TLK2 Q86UE8 4/20 0.42
RAF1 P04049 1/20 0.40
MAPT P10636 2/20 0.39
APP P05067 1/20 0.39
SNCA P37840 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
PDPK1 O15530 1/20 0.38
MAP3K7 O43318 1/20 0.38
TAB1 Q15750 1/20 0.38
NTRK1 P04629 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL3580971 0.90 PIM1 (0.46) PIM1TGM2TLK2RAF1MAPT
SCHEMBL3571577 0.89 TLK2 (0.53) PIM1TGM2TLK2RAF1IDO1
SCHEMBL3580640 0.88 PIM1 (0.51) PIM1TGM2TLK2RAF1MAPT
SCHEMBL3580637 0.84 PDPK1 (0.47) PIM1TGM2TLK2RAF1MAPT
SCHEMBL2573839 0.81 PIM1 (0.57) PIM1TGM2TLK2MAPTALDH1A1
SCHEMBL2573841 0.81 PIM1 (0.57) PIM1TGM2TLK2MAPTALDH1A1
SCHEMBL3582738 0.81 JAK3 (0.50) TGM2MAPTALDH1A1LMNAHTT
SCHEMBL3582735 0.81 JAK3 (0.50) TGM2MAPTALDH1A1LMNAHTT
SCHEMBL3571572 0.81 PDPK1 (0.55) TGM2TLK2RAF1IDO1PDPK1
SCHEMBL3652102 0.78 TLK2 (0.41) PIM1TGM2TLK2RAF1MAPT

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 PIM1 498/4885TGM2 3854/4885CHEK1 539/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 PIM1 268/4885TGM2 2093/4885CHEK1 161/4885

“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.